3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide

C13H21N3O2S — CID 43449113

IUPAC3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C13H21N3O2S/c1-15-19(17,18)11-7-8-13(12(14)9-11)16-10-5-3-2-4-6-10/h7-10,15-16H,2-6,14H2,1H3
InChIKeyCGWQCOPWMLXOHI-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.92
Rot. Bonds4

About 3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide

3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide (PubChem CID 43449113) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide
PubChem CID43449113
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C13H21N3O2S/c1-15-19(17,18)11-7-8-13(12(14)9-11)16-10-5-3-2-4-6-10/h7-10,15-16H,2-6,14H2,1H3
InChIKeyCGWQCOPWMLXOHI-UHFFFAOYSA-N
XLogP1.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide (CID 43449113) is 3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CCCCC2)c(N)c1.
What is the InChIKey of 3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide?
The InChIKey is CGWQCOPWMLXOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-15-19(17,18)11-7-8-13(12(14)9-11)16-10-5-3-2-4-6-10/h7-10,15-16H,2-6,14H2,1H3.
What are the key properties of 3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide?
3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43449113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).