2-(1-aminohexan-2-ylamino)benzenesulfonamide

C12H21N3O2S — CID 80698405

IUPAC2-(1-aminohexan-2-ylamino)benzenesulfonamide
SMILESCCCCC(CN)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-2-3-6-10(9-13)15-11-7-4-5-8-12(11)18(14,16)17/h4-5,7-8,10,15H,2-3,6,9,13H2,1H3,(H2,14,16,17)
InChIKeyPWUMFLGZUFSTNR-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.26
Rot. Bonds7

About 2-(1-aminohexan-2-ylamino)benzenesulfonamide

2-(1-aminohexan-2-ylamino)benzenesulfonamide (PubChem CID 80698405) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(1-aminohexan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(1-aminohexan-2-ylamino)benzenesulfonamide
PubChem CID80698405
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(1-aminohexan-2-ylamino)benzenesulfonamide
SMILESCCCCC(CN)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-2-3-6-10(9-13)15-11-7-4-5-8-12(11)18(14,16)17/h4-5,7-8,10,15H,2-3,6,9,13H2,1H3,(H2,14,16,17)
InChIKeyPWUMFLGZUFSTNR-UHFFFAOYSA-N
XLogP1.26
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide
CID 114212293
butyl N-(2-sulfamoylphenyl)carbamate
CID 140550140
2-N-(2-fluorophenyl)nonane-1,2-diamine
CID 65377519
2-(2-butoxyethylamino)benzenesulfonamide
CID 61169915
2-N-(2-bromophenyl)pentane-1,2-diamine
CID 65385114
2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83188457
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
CID 119667537
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide
CID 63260686
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminohexan-2-ylamino)benzenesulfonamide?
The IUPAC name of 2-(1-aminohexan-2-ylamino)benzenesulfonamide (CID 80698405) is 2-(1-aminohexan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-(1-aminohexan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 2-(1-aminohexan-2-ylamino)benzenesulfonamide is CCCCC(CN)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(1-aminohexan-2-ylamino)benzenesulfonamide?
The InChIKey is PWUMFLGZUFSTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-3-6-10(9-13)15-11-7-4-5-8-12(11)18(14,16)17/h4-5,7-8,10,15H,2-3,6,9,13H2,1H3,(H2,14,16,17).
What are the key properties of 2-(1-aminohexan-2-ylamino)benzenesulfonamide?
2-(1-aminohexan-2-ylamino)benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminohexan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 80698405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).