4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide

C20H16Cl2N2O3S — CID 58268260

IUPAC4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cnc(C(=O)c2ccccc2Cl)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C20H16Cl2N2O3S/c1-12-9-18(24-28(26,27)14-7-8-16(21)13(2)10-14)19(23-11-12)20(25)15-5-3-4-6-17(15)22/h3-11,24H,1-2H3
InChIKeyIAWLZYAIUUGLAB-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.04
Rot. Bonds5

About 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide

4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 58268260) has the molecular formula C20H16Cl2N2O3S and a molecular weight of 435.33 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID58268260
Molecular FormulaC20H16Cl2N2O3S
Molecular Weight435.33 g/mol
Exact Mass434.03
IUPAC Name4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cnc(C(=O)c2ccccc2Cl)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C20H16Cl2N2O3S/c1-12-9-18(24-28(26,27)14-7-8-16(21)13(2)10-14)19(23-11-12)20(25)15-5-3-4-6-17(15)22/h3-11,24H,1-2H3
InChIKeyIAWLZYAIUUGLAB-UHFFFAOYSA-N
XLogP5.04
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.33
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290
3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide
CID 58268242
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]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159989205
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093718
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 126755354
N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268125
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide (CID 58268260) is 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide is Cc1cnc(C(=O)c2ccccc2Cl)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is IAWLZYAIUUGLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3S/c1-12-9-18(24-28(26,27)14-7-8-16(21)13(2)10-14)19(23-11-12)20(25)15-5-3-4-6-17(15)22/h3-11,24H,1-2H3.
What are the key properties of 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide?
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 435.33 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 58268260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).