4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide

C13H19N3O2S — CID 82900583

IUPAC4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC2CC=CCC2)c1
InChIInChI=1S/C13H19N3O2S/c1-15-19(17,18)11-7-8-12(14)13(9-11)16-10-5-3-2-4-6-10/h2-3,7-10,15-16H,4-6,14H2,1H3
InChIKeyJOPMDIOTYOBHQP-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.70
Rot. Bonds4

About 4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide

4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide (PubChem CID 82900583) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide
PubChem CID82900583
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC2CC=CCC2)c1
InChIInChI=1S/C13H19N3O2S/c1-15-19(17,18)11-7-8-12(14)13(9-11)16-10-5-3-2-4-6-10/h2-3,7-10,15-16H,4-6,14H2,1H3
InChIKeyJOPMDIOTYOBHQP-UHFFFAOYSA-N
XLogP1.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide
CID 82901171
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 82901713
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 82900869
4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide
CID 115330193
4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide
CID 82900358
3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide
CID 43752019
4-(cyclopent-3-en-1-ylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 133362103
4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107294980
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538
4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide
CID 83003158
3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide
CID 113474954

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide (CID 82900583) is 4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NC2CC=CCC2)c1.
What is the InChIKey of 4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide?
The InChIKey is JOPMDIOTYOBHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-15-19(17,18)11-7-8-12(14)13(9-11)16-10-5-3-2-4-6-10/h2-3,7-10,15-16H,4-6,14H2,1H3.
What are the key properties of 4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide?
4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82900583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).