2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide

C21H22N2O4S2 — CID 990525

IUPAC2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2C)cc1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C21H22N2O4S2/c1-15-12-13-18(22-28(24,25)20-10-6-4-8-16(20)2)14-19(15)23-29(26,27)21-11-7-5-9-17(21)3/h4-14,22-23H,1-3H3
InChIKeyDVNUIKMBULFJPT-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.21
Rot. Bonds6

About 2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide

2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide (PubChem CID 990525) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
PubChem CID990525
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Name2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2C)cc1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C21H22N2O4S2/c1-15-12-13-18(22-28(24,25)20-10-6-4-8-16(20)2)14-19(15)23-29(26,27)21-11-7-5-9-17(21)3/h4-14,22-23H,1-3H3
InChIKeyDVNUIKMBULFJPT-UHFFFAOYSA-N
XLogP4.21
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide
CID 110723878
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
2-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide (CID 990525) is 2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2C)cc1NS(=O)(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The InChIKey is DVNUIKMBULFJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-15-12-13-18(22-28(24,25)20-10-6-4-8-16(20)2)14-19(15)23-29(26,27)21-11-7-5-9-17(21)3/h4-14,22-23H,1-3H3.
What are the key properties of 2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide has a molecular weight of 430.55 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 990525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).