4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide

C13H21N3O2S — CID 82907463

IUPAC4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCCC(Nc2cc(S(N)(=O)=O)ccc2N)C1
InChIInChI=1S/C13H21N3O2S/c1-9-3-2-4-10(7-9)16-13-8-11(19(15,17)18)5-6-12(13)14/h5-6,8-10,16H,2-4,7,14H2,1H3,(H2,15,17,18)
InChIKeyJRFCHZRRKUKRQB-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.91
Rot. Bonds3

About 4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide

4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide (PubChem CID 82907463) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
PubChem CID82907463
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCCC(Nc2cc(S(N)(=O)=O)ccc2N)C1
InChIInChI=1S/C13H21N3O2S/c1-9-3-2-4-10(7-9)16-13-8-11(19(15,17)18)5-6-12(13)14/h5-6,8-10,16H,2-4,7,14H2,1H3,(H2,15,17,18)
InChIKeyJRFCHZRRKUKRQB-UHFFFAOYSA-N
XLogP1.91
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.91
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

3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 54887701
4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 82906942
4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 64501520
methyl 4-amino-3-[(3-methylcyclohexyl)amino]benzoate
CID 82785054
4-amino-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
CID 82907239
4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide
CID 65080223
3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide
CID 64753179
4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide
CID 82907020
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 82901713
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 43317802
4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide (CID 82907463) is 4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide is CC1CCCC(Nc2cc(S(N)(=O)=O)ccc2N)C1.
What is the InChIKey of 4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is JRFCHZRRKUKRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-3-2-4-10(7-9)16-13-8-11(19(15,17)18)5-6-12(13)14/h5-6,8-10,16H,2-4,7,14H2,1H3,(H2,15,17,18).
What are the key properties of 4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide?
4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 82907463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).