N-cyclohexyl-3-methylsulfonylbenzenesulfonamide

C13H19NO4S2 — CID 6462647

IUPACN-cyclohexyl-3-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C13H19NO4S2/c1-19(15,16)12-8-5-9-13(10-12)20(17,18)14-11-6-3-2-4-7-11/h5,8-11,14H,2-4,6-7H2,1H3
InChIKeyKVRPIVSKNORHNV-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.70
Rot. Bonds4

About N-cyclohexyl-3-methylsulfonylbenzenesulfonamide

N-cyclohexyl-3-methylsulfonylbenzenesulfonamide (PubChem CID 6462647) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cyclohexyl-3-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methylsulfonylbenzenesulfonamide
PubChem CID6462647
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC NameN-cyclohexyl-3-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C13H19NO4S2/c1-19(15,16)12-8-5-9-13(10-12)20(17,18)14-11-6-3-2-4-7-11/h5,8-11,14H,2-4,6-7H2,1H3
InChIKeyKVRPIVSKNORHNV-UHFFFAOYSA-N
XLogP1.70
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-[2-(cycloheptylamino)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 119987331
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide
CID 1356174
N-cycloheptyl-3-nitrobenzenesulfonamide
CID 19203727
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cycloheptylsulfamoyl)benzenecarbothioamide
CID 43346188
N-cycloheptyl-3-(1,1-dioxothiolan-3-yl)sulfonylbenzenesulfonamide
CID 42654682
N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
CID 38996571
3-(cyclopentylsulfamoyl)benzenecarbothioamide
CID 24690582

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-methylsulfonylbenzenesulfonamide (CID 6462647) is N-cyclohexyl-3-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-methylsulfonylbenzenesulfonamide?
The InChIKey is KVRPIVSKNORHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-19(15,16)12-8-5-9-13(10-12)20(17,18)14-11-6-3-2-4-7-11/h5,8-11,14H,2-4,6-7H2,1H3.
What are the key properties of N-cyclohexyl-3-methylsulfonylbenzenesulfonamide?
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide has a molecular weight of 317.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 6462647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).