4-[(2-aminocyclohexyl)amino]benzenesulfonamide

C12H19N3O2S — CID 61037515

IUPAC4-[(2-aminocyclohexyl)amino]benzenesulfonamide
SMILESNC1CCCCC1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O2S/c13-11-3-1-2-4-12(11)15-9-5-7-10(8-6-9)18(14,16)17/h5-8,11-12,15H,1-4,13H2,(H2,14,16,17)
InChIKeyOTVYSOHKFHSSPW-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.02
Rot. Bonds3

About 4-[(2-aminocyclohexyl)amino]benzenesulfonamide

4-[(2-aminocyclohexyl)amino]benzenesulfonamide (PubChem CID 61037515) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(2-aminocyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-aminocyclohexyl)amino]benzenesulfonamide
PubChem CID61037515
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-[(2-aminocyclohexyl)amino]benzenesulfonamide
SMILESNC1CCCCC1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O2S/c13-11-3-1-2-4-12(11)15-9-5-7-10(8-6-9)18(14,16)17/h5-8,11-12,15H,1-4,13H2,(H2,14,16,17)
InChIKeyOTVYSOHKFHSSPW-UHFFFAOYSA-N
XLogP1.02
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 43105411
4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide
CID 106362102
4-[(2-methylthian-3-yl)amino]benzenesulfonamide
CID 79956808
4-[(2-aminocyclohexyl)amino]benzoic acid
CID 62230691
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
CID 102571444
2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
CID 115117777
2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 93453630
1-N-pyridin-4-ylcycloheptane-1,2-diamine
CID 63258544
1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117122
3-N-(2-aminocyclohexyl)benzene-1,3-disulfonamide
CID 61037249
1-N-(4-ethylphenyl)cyclopentane-1,2-diamine
CID 102571486

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-aminocyclohexyl)amino]benzenesulfonamide (CID 61037515) is 4-[(2-aminocyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-aminocyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-aminocyclohexyl)amino]benzenesulfonamide is NC1CCCCC1Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(2-aminocyclohexyl)amino]benzenesulfonamide?
The InChIKey is OTVYSOHKFHSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-11-3-1-2-4-12(11)15-9-5-7-10(8-6-9)18(14,16)17/h5-8,11-12,15H,1-4,13H2,(H2,14,16,17).
What are the key properties of 4-[(2-aminocyclohexyl)amino]benzenesulfonamide?
4-[(2-aminocyclohexyl)amino]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 61037515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).