N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide

C15H18N2O4S2 — CID 1025592

IUPACN-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H18N2O4S2/c1-17(12-13-6-4-3-5-7-13)23(20,21)15-10-8-14(9-11-15)16-22(2,18)19/h3-11,16H,12H2,1-2H3
InChIKeyWTFTVQSLYYMQOY-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.88
Rot. Bonds6

About N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide

N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide (PubChem CID 1025592) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide
PubChem CID1025592
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H18N2O4S2/c1-17(12-13-6-4-3-5-7-13)23(20,21)15-10-8-14(9-11-15)16-22(2,18)19/h3-11,16H,12H2,1-2H3
InChIKeyWTFTVQSLYYMQOY-UHFFFAOYSA-N
XLogP1.88
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide (CID 1025592) is N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide?
The InChIKey is WTFTVQSLYYMQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-17(12-13-6-4-3-5-7-13)23(20,21)15-10-8-14(9-11-15)16-22(2,18)19/h3-11,16H,12H2,1-2H3.
What are the key properties of N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide?
N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide has a molecular weight of 354.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(methanesulfonamido)-N-methylbenzenesulfonamide is sourced from PubChem (CID 1025592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).