N-cycloheptyl-4-methylbenzenesulfonamide

C14H21NO2S — CID 668969

IUPACN-cycloheptyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-12-8-10-14(11-9-12)18(16,17)15-13-6-4-2-3-5-7-13/h8-11,13,15H,2-7H2,1H3
InChIKeyKAGLVTRCHVNGDG-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.00
Rot. Bonds3

About N-cycloheptyl-4-methylbenzenesulfonamide

N-cycloheptyl-4-methylbenzenesulfonamide (PubChem CID 668969) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-cycloheptyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-4-methylbenzenesulfonamide
PubChem CID668969
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-cycloheptyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-12-8-10-14(11-9-12)18(16,17)15-13-6-4-2-3-5-7-13/h8-11,13,15H,2-7H2,1H3
InChIKeyKAGLVTRCHVNGDG-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-methylbenzenesulfonamide?
The IUPAC name of N-cycloheptyl-4-methylbenzenesulfonamide (CID 668969) is N-cycloheptyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-4-methylbenzenesulfonamide?
The InChIKey is KAGLVTRCHVNGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12-8-10-14(11-9-12)18(16,17)15-13-6-4-2-3-5-7-13/h8-11,13,15H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-4-methylbenzenesulfonamide?
N-cycloheptyl-4-methylbenzenesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 668969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).