2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide

C15H24N2O2S — CID 43454494

IUPAC2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC1CCCCCC1
InChIInChI=1S/C15H24N2O2S/c1-17(2)20(18,19)15-12-8-7-11-14(15)16-13-9-5-3-4-6-10-13/h7-8,11-13,16H,3-6,9-10H2,1-2H3
InChIKeyMOYSQEGMVLFOBZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.07
Rot. Bonds4

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

2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 43454494) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID43454494
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC1CCCCCC1
InChIInChI=1S/C15H24N2O2S/c1-17(2)20(18,19)15-12-8-7-11-14(15)16-13-9-5-3-4-6-10-13/h7-8,11-13,16H,3-6,9-10H2,1-2H3
InChIKeyMOYSQEGMVLFOBZ-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43383449
N,N-dimethyl-2-(piperidin-3-ylamino)benzenesulfonamide
CID 55203561
2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
CID 65029451
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
CID 79870620
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
CID 43454674
N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 64667593
2-(2-cyclopentylethylamino)-N,N-dimethylbenzenesulfonamide
CID 60920166
2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 107115787
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide (CID 43454494) is 2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is MOYSQEGMVLFOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-17(2)20(18,19)15-12-8-7-11-14(15)16-13-9-5-3-4-6-10-13/h7-8,11-13,16H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide?
2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43454494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).