N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide

C15H18N2O4S2 — CID 1311536

IUPACN-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H18N2O4S2/c1-11-5-4-6-12(2)15(11)17-23(20,21)14-9-7-13(8-10-14)16-22(3,18)19/h4-10,16-17H,1-3H3
InChIKeyJECFPOQCDNMEJQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.48
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide

N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide (PubChem CID 1311536) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide
PubChem CID1311536
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H18N2O4S2/c1-11-5-4-6-12(2)15(11)17-23(20,21)14-9-7-13(8-10-14)16-22(3,18)19/h4-10,16-17H,1-3H3
InChIKeyJECFPOQCDNMEJQ-UHFFFAOYSA-N
XLogP2.48
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide (CID 1311536) is N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide?
The InChIKey is JECFPOQCDNMEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-11-5-4-6-12(2)15(11)17-23(20,21)14-9-7-13(8-10-14)16-22(3,18)19/h4-10,16-17H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide?
N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide has a molecular weight of 354.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 1311536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).