2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide

C19H16Cl2N2O2S — CID 66714005

IUPAC2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1-c1cnccc1C
InChIInChI=1S/C19H16Cl2N2O2S/c1-12-7-8-22-11-17(12)16-5-4-15(9-13(16)2)23-26(24,25)19-10-14(20)3-6-18(19)21/h3-11,23H,1-2H3
InChIKeyAWVSZINCFVZGOS-UHFFFAOYSA-N
MW407.32 g/mol
LogP5.47
Rot. Bonds4

About 2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide

2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide (PubChem CID 66714005) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
PubChem CID66714005
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC Name2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1-c1cnccc1C
InChIInChI=1S/C19H16Cl2N2O2S/c1-12-7-8-22-11-17(12)16-5-4-15(9-13(16)2)23-26(24,25)19-10-14(20)3-6-18(19)21/h3-11,23H,1-2H3
InChIKeyAWVSZINCFVZGOS-UHFFFAOYSA-N
XLogP5.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.32
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996
3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 56651283
N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]-3-sulfanylidenecyclohexa-1,5-diene-1-sulfonamide
CID 122506051
2,5-dichloro-N-(2-methylquinolin-6-yl)benzenesulfonamide
CID 11280072
3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714618
N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 66714010
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide
CID 104952510
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744848

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide (CID 66714005) is 2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1-c1cnccc1C.
What is the InChIKey of 2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The InChIKey is AWVSZINCFVZGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-12-7-8-22-11-17(12)16-5-4-15(9-13(16)2)23-26(24,25)19-10-14(20)3-6-18(19)21/h3-11,23H,1-2H3.
What are the key properties of 2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide has a molecular weight of 407.32 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 66714005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).