3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide

C15H25N3O2S — CID 62407684

IUPAC3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide
SMILESCCC(Nc1ccc(S(N)(=O)=O)cc1N)C1CCCCC1
InChIInChI=1S/C15H25N3O2S/c1-2-14(11-6-4-3-5-7-11)18-15-9-8-12(10-13(15)16)21(17,19)20/h8-11,14,18H,2-7,16H2,1H3,(H2,17,19,20)
InChIKeyQAWYHVCIWXKOKX-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.69
Rot. Bonds5

About 3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide

3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide (PubChem CID 62407684) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide
PubChem CID62407684
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide
SMILESCCC(Nc1ccc(S(N)(=O)=O)cc1N)C1CCCCC1
InChIInChI=1S/C15H25N3O2S/c1-2-14(11-6-4-3-5-7-11)18-15-9-8-12(10-13(15)16)21(17,19)20/h8-11,14,18H,2-7,16H2,1H3,(H2,17,19,20)
InChIKeyQAWYHVCIWXKOKX-UHFFFAOYSA-N
XLogP2.69
TPSA98.21 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 ≤ 52.69
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

1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63406082
3-amino-4-(1-cyclohexylpropylamino)benzonitrile
CID 62405724
3-amino-4-(propan-2-ylamino)benzenesulfonamide
CID 43153415
4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
CID 106738233
3-amino-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 54954455
3-amino-4-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43372059
3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine
CID 62589796
3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 43153449
2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide
CID 62406135
2-amino-5-(1-cyclohexylpropylamino)-4-fluorobenzoic acid
CID 62405653
1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine
CID 55068971
3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide
CID 83004536

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide?
The IUPAC name of 3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide (CID 62407684) is 3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide is CCC(Nc1ccc(S(N)(=O)=O)cc1N)C1CCCCC1.
What is the InChIKey of 3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide?
The InChIKey is QAWYHVCIWXKOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-14(11-6-4-3-5-7-11)18-15-9-8-12(10-13(15)16)21(17,19)20/h8-11,14,18H,2-7,16H2,1H3,(H2,17,19,20).
What are the key properties of 3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide?
3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide is sourced from PubChem (CID 62407684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).