N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide

C16H18N2O4S2 — CID 113094753

IUPACN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N(C2CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-23(19,20)17-13-7-9-14(10-8-13)18(15-11-12-15)24(21,22)16-5-3-2-4-6-16/h2-10,15,17H,11-12H2,1H3
InChIKeyCVYPIAPGKUTPCS-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.42
Rot. Bonds6

About N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide

N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide (PubChem CID 113094753) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
PubChem CID113094753
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N(C2CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-23(19,20)17-13-7-9-14(10-8-13)18(15-11-12-15)24(21,22)16-5-3-2-4-6-16/h2-10,15,17H,11-12H2,1H3
InChIKeyCVYPIAPGKUTPCS-UHFFFAOYSA-N
XLogP2.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide (CID 113094753) is N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide is CS(=O)(=O)Nc1ccc(N(C2CC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
The InChIKey is CVYPIAPGKUTPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-23(19,20)17-13-7-9-14(10-8-13)18(15-11-12-15)24(21,22)16-5-3-2-4-6-16/h2-10,15,17H,11-12H2,1H3.
What are the key properties of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide is sourced from PubChem (CID 113094753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).