N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide

C15H18N2O4S2 — CID 167899104

IUPACN-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1C
InChIInChI=1S/C15H18N2O4S2/c1-12-7-3-4-8-13(12)11-22(18,19)17-14-9-5-6-10-15(14)23(20,21)16-2/h3-10,16-17H,11H2,1-2H3
InChIKeyBDSOABLJZSTOHC-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.85
Rot. Bonds6

About N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide

N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide (PubChem CID 167899104) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide
PubChem CID167899104
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1C
InChIInChI=1S/C15H18N2O4S2/c1-12-7-3-4-8-13(12)11-22(18,19)17-14-9-5-6-10-15(14)23(20,21)16-2/h3-10,16-17H,11H2,1-2H3
InChIKeyBDSOABLJZSTOHC-UHFFFAOYSA-N
XLogP1.85
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid
CID 43696150
1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 62021830
N-(2-cyanopropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110406269
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
N-(2-benzylphenyl)-1-phenylmethanesulfonamide
CID 8514129
2-[(3,5-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64753384
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
2-(methoxyamino)-N-methylbenzenesulfonamide
CID 23002402
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110713363
1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide
CID 110726362

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide (CID 167899104) is N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide is CNS(=O)(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1C.
What is the InChIKey of N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide?
The InChIKey is BDSOABLJZSTOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-12-7-3-4-8-13(12)11-22(18,19)17-14-9-5-6-10-15(14)23(20,21)16-2/h3-10,16-17H,11H2,1-2H3.
What are the key properties of N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide?
N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide has a molecular weight of 354.45 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide is sourced from PubChem (CID 167899104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).