N-cycloheptyl-4-methylsulfanylbenzenesulfonamide

C14H21NO2S2 — CID 2228353

IUPACN-cycloheptyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C14H21NO2S2/c1-18-13-8-10-14(11-9-13)19(16,17)15-12-6-4-2-3-5-7-12/h8-12,15H,2-7H2,1H3
InChIKeyPKHKLOLKKZMXKF-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.41
Rot. Bonds4

About N-cycloheptyl-4-methylsulfanylbenzenesulfonamide

N-cycloheptyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 2228353) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-cycloheptyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-4-methylsulfanylbenzenesulfonamide
PubChem CID2228353
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC NameN-cycloheptyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C14H21NO2S2/c1-18-13-8-10-14(11-9-13)19(16,17)15-12-6-4-2-3-5-7-12/h8-12,15H,2-7H2,1H3
InChIKeyPKHKLOLKKZMXKF-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Methyl-butyl)-benzenesulfonamide
CID 653062
N-cyclopropyl-4-(methylsulfanyl)benzenesulfonamide
CID 2222291
N-cyclohexyl-4-(methylsulfanyl)benzenesulfonamide
CID 803800
N-[2-(tert-butylthio)ethyl]-4-(methylthio)benzenesulfonamide
CID 2231398
N-octylbenzenesulfonamide
CID 85380
1-Pentanamine, 5-(phenylsulfonyl)-
CID 53684667
N-cycloheptyl-3,4-difluorobenzenesulfonamide
CID 2404272
N-(3-methoxypropyl)-4-(methylthio)benzenesulfonamide
CID 2968458
N-cyclooctyl-4-(difluoromethylsulfonyl)benzenesulfonamide
CID 34030252
N-cycloheptylbenzenesulfonamide
CID 799160
N-methyl-4-(methylsulfanyl)benzenesulfonamide
CID 961941
4-(methylsulfanyl)-N-(prop-2-en-1-yl)benzenesulfonamide
CID 2217823

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-cycloheptyl-4-methylsulfanylbenzenesulfonamide (CID 2228353) is N-cycloheptyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is PKHKLOLKKZMXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-18-13-8-10-14(11-9-13)19(16,17)15-12-6-4-2-3-5-7-12/h8-12,15H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-4-methylsulfanylbenzenesulfonamide?
N-cycloheptyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 299.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 2228353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).