2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate

C23H20ClN2O5S- — CID 143610397

IUPAC2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C23H21ClN2O5S/c1-23(2,3)14-8-10-16(11-9-14)32(30,31)26-19-12-15(24)13-25-20(19)21(27)17-6-4-5-7-18(17)22(28)29/h4-13,26H,1-3H3,(H,28,29)/p-1
InChIKeyNHSQTHOKHTVDEP-UHFFFAOYSA-M
MW471.94 g/mol
LogP3.43
Rot. Bonds6

About 2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate

2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate (PubChem CID 143610397) has the molecular formula C23H20ClN2O5S- and a molecular weight of 471.94 g/mol. Its IUPAC name is 2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate.

Molecular Properties

Compound Name2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
PubChem CID143610397
Molecular FormulaC23H20ClN2O5S-
Molecular Weight471.94 g/mol
Exact Mass471.08
IUPAC Name2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C23H21ClN2O5S/c1-23(2,3)14-8-10-16(11-9-14)32(30,31)26-19-12-15(24)13-25-20(19)21(27)17-6-4-5-7-18(17)22(28)29/h4-13,26H,1-3H3,(H,28,29)/p-1
InChIKeyNHSQTHOKHTVDEP-UHFFFAOYSA-M
XLogP3.43
TPSA116.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
CID 88909110
CID 88909110
N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290
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
4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268348
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide
CID 59216834
N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide
CID 59428132

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate?
The IUPAC name of 2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate (CID 143610397) is 2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate.
What is the SMILES notation for 2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate?
The canonical SMILES for 2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2C(=O)[O-])cc1.
What is the InChIKey of 2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate?
The InChIKey is NHSQTHOKHTVDEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H21ClN2O5S/c1-23(2,3)14-8-10-16(11-9-14)32(30,31)26-19-12-15(24)13-25-20(19)21(27)17-6-4-5-7-18(17)22(28)29/h4-13,26H,1-3H3,(H,28,29)/p-1.
What are the key properties of 2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate?
2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate has a molecular weight of 471.94 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate is sourced from PubChem (CID 143610397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).