4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide

C15H25N3O2S — CID 82900358

IUPAC4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC(C)C2CCCCC2)c1
InChIInChI=1S/C15H25N3O2S/c1-11(12-6-4-3-5-7-12)18-15-10-13(8-9-14(15)16)21(19,20)17-2/h8-12,17-18H,3-7,16H2,1-2H3
InChIKeyRJECRFBSMGMOPG-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.56
Rot. Bonds5

About 4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide

4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide (PubChem CID 82900358) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide
PubChem CID82900358
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC(C)C2CCCCC2)c1
InChIInChI=1S/C15H25N3O2S/c1-11(12-6-4-3-5-7-12)18-15-10-13(8-9-14(15)16)21(19,20)17-2/h8-12,17-18H,3-7,16H2,1-2H3
InChIKeyRJECRFBSMGMOPG-UHFFFAOYSA-N
XLogP2.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide
CID 82901171
4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide
CID 82901051
4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 82900869
4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
CID 81440565
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 82901713
4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide
CID 82900583
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide
CID 82900800
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide (CID 82900358) is 4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NC(C)C2CCCCC2)c1.
What is the InChIKey of 4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide?
The InChIKey is RJECRFBSMGMOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(12-6-4-3-5-7-12)18-15-10-13(8-9-14(15)16)21(19,20)17-2/h8-12,17-18H,3-7,16H2,1-2H3.
What are the key properties of 4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide?
4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82900358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).