N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide

C15H18N2O4S2 — CID 1306381

IUPACN-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-12-4-10-15(11-5-12)23(20,21)17(2)14-8-6-13(7-9-14)16-22(3,18)19/h4-11,16H,1-3H3
InChIKeyAGORLGMFVCGHOX-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.19
Rot. Bonds5

About N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide

N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 1306381) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide
PubChem CID1306381
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-12-4-10-15(11-5-12)23(20,21)17(2)14-8-6-13(7-9-14)16-22(3,18)19/h4-11,16H,1-3H3
InChIKeyAGORLGMFVCGHOX-UHFFFAOYSA-N
XLogP2.19
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 113094754
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
4-[methyl-(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 62970870
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 62002863
N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 26899681

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide (CID 1306381) is N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is AGORLGMFVCGHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-12-4-10-15(11-5-12)23(20,21)17(2)14-8-6-13(7-9-14)16-22(3,18)19/h4-11,16H,1-3H3.
What are the key properties of N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide?
N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 354.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 1306381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).