N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide

C15H17NO2S — CID 800890

IUPACN,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H17NO2S/c1-12-4-8-14(9-5-12)16(3)19(17,18)15-10-6-13(2)7-11-15/h4-11H,1-3H3
InChIKeyAFMKTQHRDBNAKW-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.13
Rot. Bonds3

About N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide

N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 800890) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID800890
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H17NO2S/c1-12-4-8-14(9-5-12)16(3)19(17,18)15-10-6-13(2)7-11-15/h4-11H,1-3H3
InChIKeyAFMKTQHRDBNAKW-UHFFFAOYSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide
CID 1306381
4-[methyl-(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 62970870
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide
CID 126143327
3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 63235864
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 17413733
N-(4-fluorophenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787902
N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788127

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide (CID 800890) is N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is AFMKTQHRDBNAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12-4-8-14(9-5-12)16(3)19(17,18)15-10-6-13(2)7-11-15/h4-11H,1-3H3.
What are the key properties of N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 800890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).