4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide

C91H89Cl5N8O15S6 — CID 161169582

IUPAC4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2Cl)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2S(C)(=O)=O)cc1.COc1ccccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.CSc1ccccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H23ClN2O5S2.C23H23ClN2O4S.C23H23ClN2O3S2.C22H20Cl2N2O3S/c1-23(2,3)15-9-11-17(12-10-15)33(30,31)26-19-13-16(24)14-25-21(19)22(27)18-7-5-6-8-20(18)32(4,28)29;2*1-23(2,3)15-9-11-17(12-10-15)31(28,29)26-19-13-16(24)14-25-21(19)22(27)18-7-5-6-8-20(18)30-4;1-22(2,3)14-8-10-16(11-9-14)30(28,29)26-19-12-15(23)13-25-20(19)21(27)17-6-4-5-7-18(17)24/h5-14,26H,1-4H3;2*5-14,26H,1-4H3;4-13,26H,1-3H3
InChIKeyUQZRKRYCAOKLMK-UHFFFAOYSA-N
MW1904.42 g/mol
LogP21.04
Rot. Bonds23

About 4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide

4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 161169582) has the molecular formula C91H89Cl5N8O15S6 and a molecular weight of 1904.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide
PubChem CID161169582
Molecular FormulaC91H89Cl5N8O15S6
Molecular Weight1904.42 g/mol
Exact Mass1900.32
IUPAC Name4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2Cl)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2S(C)(=O)=O)cc1.COc1ccccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.CSc1ccccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H23ClN2O5S2.C23H23ClN2O4S.C23H23ClN2O3S2.C22H20Cl2N2O3S/c1-23(2,3)15-9-11-17(12-10-15)33(30,31)26-19-13-16(24)14-25-21(19)22(27)18-7-5-6-8-20(18)32(4,28)29;2*1-23(2,3)15-9-11-17(12-10-15)31(28,29)26-19-13-16(24)14-25-21(19)22(27)18-7-5-6-8-20(18)30-4;1-22(2,3)14-8-10-16(11-9-14)30(28,29)26-19-12-15(23)13-25-20(19)21(27)17-6-4-5-7-18(17)24/h5-14,26H,1-4H3;2*5-14,26H,1-4H3;4-13,26H,1-3H3
InChIKeyUQZRKRYCAOKLMK-UHFFFAOYSA-N
XLogP21.04
TPSA347.89 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001904.42
LogP ≤ 521.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
CID 143610397
4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 159688841
3-bromo-N-[5-chloro-2-(2-fluoro-6-methoxybenzoyl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11699761
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoic acid;methane;methyl 2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoate
CID 159754215
4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide
CID 173104693
CID 88909110
CID 88909110
4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268348
N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
CID 7940797
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
4-chloro-N-[5-chloro-2-(2-methoxypyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159612739

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide (CID 161169582) is 4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2Cl)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2S(C)(=O)=O)cc1.COc1ccccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.CSc1ccccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is UQZRKRYCAOKLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S2.C23H23ClN2O4S.C23H23ClN2O3S2.C22H20Cl2N2O3S/c1-23(2,3)15-9-11-17(12-10-15)33(30,31)26-19-13-16(24)14-25-21(19)22(27)18-7-5-6-8-20(18)32(4,28)29;2*1-23(2,3)15-9-11-17(12-10-15)31(28,29)26-19-13-16(24)14-25-21(19)22(27)18-7-5-6-8-20(18)30-4;1-22(2,3)14-8-10-16(11-9-14)30(28,29)26-19-12-15(23)13-25-20(19)21(27)17-6-4-5-7-18(17)24/h5-14,26H,1-4H3;2*5-14,26H,1-4H3;4-13,26H,1-3H3.
What are the key properties of 4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide?
4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 1904.42 g/mol, XLogP of 21.04, 23 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-chloro-2-(2-chlorobenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 161169582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).