5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide

C15H24N2O2S — CID 43717499

IUPAC5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NC2CCCCCC2)ccc1C
InChIInChI=1S/C15H24N2O2S/c1-12-9-10-14(11-15(12)20(18,19)16-2)17-13-7-5-3-4-6-8-13/h9-11,13,16-17H,3-8H2,1-2H3
InChIKeyTWTSHINOLNRIHE-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.04
Rot. Bonds4

About 5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide

5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide (PubChem CID 43717499) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide
PubChem CID43717499
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NC2CCCCCC2)ccc1C
InChIInChI=1S/C15H24N2O2S/c1-12-9-10-14(11-15(12)20(18,19)16-2)17-13-7-5-3-4-6-8-13/h9-11,13,16-17H,3-8H2,1-2H3
InChIKeyTWTSHINOLNRIHE-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopentylamino)-N,2-dimethylbenzenesulfonamide
CID 43717500
5-(cyclopentylamino)-2-methylbenzenesulfonamide
CID 28653417
5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide
CID 106821362
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519759
N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
CID 63455762
5-[6-(cyclohexylamino)pyridazin-3-yl]-N,2-dimethylbenzenesulfonamide
CID 27262288
5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide
CID 64761633
2-methyl-5-(oxepan-4-ylamino)benzenesulfonamide
CID 65077103
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
5-(cyclohexylamino)-2-methylbenzoic acid
CID 82932718
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide (CID 43717499) is 5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(NC2CCCCCC2)ccc1C.
What is the InChIKey of 5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide?
The InChIKey is TWTSHINOLNRIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-9-10-14(11-15(12)20(18,19)16-2)17-13-7-5-3-4-6-8-13/h9-11,13,16-17H,3-8H2,1-2H3.
What are the key properties of 5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide?
5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 43717499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).