2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide

C14H15ClN2O4S2 — CID 39837795

IUPAC2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C14H15ClN2O4S2/c1-10-7-8-14(11(15)9-10)23(20,21)17-13-6-4-3-5-12(13)16-22(2,18)19/h3-9,16-17H,1-2H3
InChIKeyKMGFADPOPUNVAO-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.82
Rot. Bonds5

About 2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide

2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide (PubChem CID 39837795) has the molecular formula C14H15ClN2O4S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
PubChem CID39837795
Molecular FormulaC14H15ClN2O4S2
Molecular Weight374.87 g/mol
Exact Mass374.02
IUPAC Name2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C14H15ClN2O4S2/c1-10-7-8-14(11(15)9-10)23(20,21)17-13-6-4-3-5-12(13)16-22(2,18)19/h3-9,16-17H,1-2H3
InChIKeyKMGFADPOPUNVAO-UHFFFAOYSA-N
XLogP2.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 32676606
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
CID 32673907
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide (CID 39837795) is 2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KMGFADPOPUNVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S2/c1-10-7-8-14(11(15)9-10)23(20,21)17-13-6-4-3-5-12(13)16-22(2,18)19/h3-9,16-17H,1-2H3.
What are the key properties of 2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide?
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 374.87 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 39837795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).