2-amino-N-(3-hydroxybutyl)benzenesulfonamide

C10H16N2O3S — CID 64929991

IUPAC2-amino-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H16N2O3S/c1-8(13)6-7-12-16(14,15)10-5-3-2-4-9(10)11/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyRVTQKPGMMAFYQO-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.32
Rot. Bonds5

About 2-amino-N-(3-hydroxybutyl)benzenesulfonamide

2-amino-N-(3-hydroxybutyl)benzenesulfonamide (PubChem CID 64929991) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxybutyl)benzenesulfonamide
PubChem CID64929991
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-amino-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H16N2O3S/c1-8(13)6-7-12-16(14,15)10-5-3-2-4-9(10)11/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyRVTQKPGMMAFYQO-UHFFFAOYSA-N
XLogP0.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.32
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

2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113375971
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
methyl 3-[(2-aminophenyl)sulfonylamino]propanoate
CID 43665938
2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 22722440

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(3-hydroxybutyl)benzenesulfonamide (CID 64929991) is 2-amino-N-(3-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-hydroxybutyl)benzenesulfonamide is CC(O)CCNS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(3-hydroxybutyl)benzenesulfonamide?
The InChIKey is RVTQKPGMMAFYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8(13)6-7-12-16(14,15)10-5-3-2-4-9(10)11/h2-5,8,12-13H,6-7,11H2,1H3.
What are the key properties of 2-amino-N-(3-hydroxybutyl)benzenesulfonamide?
2-amino-N-(3-hydroxybutyl)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 64929991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).