3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide

C13H21N3O2S — CID 54887701

IUPAC3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCCC(Nc2cc(N)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C13H21N3O2S/c1-9-3-2-4-11(5-9)16-12-6-10(14)7-13(8-12)19(15,17)18/h6-9,11,16H,2-5,14H2,1H3,(H2,15,17,18)
InChIKeyCWEYBJRPTRLVBS-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.91
Rot. Bonds3

About 3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide

3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide (PubChem CID 54887701) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide
PubChem CID54887701
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCCC(Nc2cc(N)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C13H21N3O2S/c1-9-3-2-4-11(5-9)16-12-6-10(14)7-13(8-12)19(15,17)18/h6-9,11,16H,2-5,14H2,1H3,(H2,15,17,18)
InChIKeyCWEYBJRPTRLVBS-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

5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 82907463
4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
3-amino-5-[(1-methylpyrrolidin-3-yl)amino]benzenesulfonamide
CID 54949572
3-amino-5-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide
CID 79861558
3,5-dichloro-N-(3-methylcyclohexyl)aniline
CID 43111020
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702
3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide
CID 63243254
3-amino-5-(propan-2-ylamino)benzenesulfonamide
CID 60987493
3-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]benzenesulfonamide
CID 106359193
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide
CID 107427895

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide (CID 54887701) is 3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide is CC1CCCC(Nc2cc(N)cc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is CWEYBJRPTRLVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-3-2-4-11(5-9)16-12-6-10(14)7-13(8-12)19(15,17)18/h6-9,11,16H,2-5,14H2,1H3,(H2,15,17,18).
What are the key properties of 3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide?
3-amino-5-[(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 3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 54887701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).