2-amino-3-(cyclohexylamino)benzenesulfonamide

C12H19N3O2S — CID 112674592

IUPAC2-amino-3-(cyclohexylamino)benzenesulfonamide
SMILESNc1c(NC2CCCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O2S/c13-12-10(15-9-5-2-1-3-6-9)7-4-8-11(12)18(14,16)17/h4,7-9,15H,1-3,5-6,13H2,(H2,14,16,17)
InChIKeyJGWRSBMNFCQORJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.66
Rot. Bonds3

About 2-amino-3-(cyclohexylamino)benzenesulfonamide

2-amino-3-(cyclohexylamino)benzenesulfonamide (PubChem CID 112674592) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-3-(cyclohexylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(cyclohexylamino)benzenesulfonamide
PubChem CID112674592
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-amino-3-(cyclohexylamino)benzenesulfonamide
SMILESNc1c(NC2CCCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O2S/c13-12-10(15-9-5-2-1-3-6-9)7-4-8-11(12)18(14,16)17/h4,7-9,15H,1-3,5-6,13H2,(H2,14,16,17)
InChIKeyJGWRSBMNFCQORJ-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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

2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 112674906
3-N-cyclohexylbenzene-1,2,3-triamine
CID 14942290
2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide
CID 115992752
2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
CID 112675017
2-amino-3-(piperidin-1-ylamino)benzenesulfonamide
CID 112675025
2-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62870929
1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
CID 60783191
4-chloro-2-(cycloheptylamino)benzenesulfonamide
CID 67530728
2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992729
2-(cyclopentylamino)-N-(2-methyl-3-sulfamoylphenyl)acetamide
CID 60944911
2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide
CID 115992576

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclohexylamino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(cyclohexylamino)benzenesulfonamide (CID 112674592) is 2-amino-3-(cyclohexylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(cyclohexylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(cyclohexylamino)benzenesulfonamide is Nc1c(NC2CCCCC2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(cyclohexylamino)benzenesulfonamide?
The InChIKey is JGWRSBMNFCQORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-12-10(15-9-5-2-1-3-6-9)7-4-8-11(12)18(14,16)17/h4,7-9,15H,1-3,5-6,13H2,(H2,14,16,17).
What are the key properties of 2-amino-3-(cyclohexylamino)benzenesulfonamide?
2-amino-3-(cyclohexylamino)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclohexylamino)benzenesulfonamide is sourced from PubChem (CID 112674592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).