3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide

C15H24N2O2S — CID 43684686

IUPAC3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NC2CCCCCC2)c1C
InChIInChI=1S/C15H24N2O2S/c1-11-9-14(20(16,18)19)10-15(12(11)2)17-13-7-5-3-4-6-8-13/h9-10,13,17H,3-8H2,1-2H3,(H2,16,18,19)
InChIKeyLJHKMYMULRHQMZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.09
Rot. Bonds3

About 3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide

3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide (PubChem CID 43684686) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
PubChem CID43684686
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NC2CCCCCC2)c1C
InChIInChI=1S/C15H24N2O2S/c1-11-9-14(20(16,18)19)10-15(12(11)2)17-13-7-5-3-4-6-8-13/h9-10,13,17H,3-8H2,1-2H3,(H2,16,18,19)
InChIKeyLJHKMYMULRHQMZ-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 7312501
N-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide
CID 44573157
4-butyl-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 46882624
N-isopropyl-6-indolinesulfonamide
CID 7312502
3-amino-N,N-diethyl-4,5-dimethylbenzene-1-sulfonamide
CID 4962712
3-amino-N,N,4,5-tetramethylbenzene-1-sulfonamide
CID 4962713
3-Amino-4,5-dimethylbenzene-1-sulfonamide
CID 4961879
N,N-dimethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 10376417
N,N-dimethyl-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 53613709
3,4-Dimethyl-5-(methylamino)benzene-1-sulfonamide
CID 63089509
3-[[(1S)-cyclohex-3-en-1-yl]methylamino]-4-methylbenzenesulfonamide
CID 129365496
(3R)-3-methyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 164632099

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide (CID 43684686) is 3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NC2CCCCCC2)c1C.
What is the InChIKey of 3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide?
The InChIKey is LJHKMYMULRHQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-9-14(20(16,18)19)10-15(12(11)2)17-13-7-5-3-4-6-8-13/h9-10,13,17H,3-8H2,1-2H3,(H2,16,18,19).
What are the key properties of 3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide?
3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43684686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).