N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide

C15H18N2O4S2 — CID 1083469

IUPACN-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-22(18,19)16-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)17-23(2,20)21/h3-10,16-17H,11H2,1-2H3
InChIKeyKLYKBGKWTGHMNS-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.02
Rot. Bonds6

About N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide

N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide (PubChem CID 1083469) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide
PubChem CID1083469
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-22(18,19)16-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)17-23(2,20)21/h3-10,16-17H,11H2,1-2H3
InChIKeyKLYKBGKWTGHMNS-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide (CID 1083469) is N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cc2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide?
The InChIKey is KLYKBGKWTGHMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-22(18,19)16-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)17-23(2,20)21/h3-10,16-17H,11H2,1-2H3.
What are the key properties of N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide?
N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide has a molecular weight of 354.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(methanesulfonamido)phenyl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 1083469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).