3-amino-5-(2-hydroxybutylamino)benzenesulfonamide

C10H17N3O3S — CID 113491915

IUPAC3-amino-5-(2-hydroxybutylamino)benzenesulfonamide
SMILESCCC(O)CNc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C10H17N3O3S/c1-2-9(14)6-13-8-3-7(11)4-10(5-8)17(12,15)16/h3-5,9,13-14H,2,6,11H2,1H3,(H2,12,15,16)
InChIKeyVSNWTJLBURBXKP-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.10
Rot. Bonds5

About 3-amino-5-(2-hydroxybutylamino)benzenesulfonamide

3-amino-5-(2-hydroxybutylamino)benzenesulfonamide (PubChem CID 113491915) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-amino-5-(2-hydroxybutylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(2-hydroxybutylamino)benzenesulfonamide
PubChem CID113491915
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-amino-5-(2-hydroxybutylamino)benzenesulfonamide
SMILESCCC(O)CNc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C10H17N3O3S/c1-2-9(14)6-13-8-3-7(11)4-10(5-8)17(12,15)16/h3-5,9,13-14H,2,6,11H2,1H3,(H2,12,15,16)
InChIKeyVSNWTJLBURBXKP-UHFFFAOYSA-N
XLogP0.10
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N1,N1-Bis(2-hydroxyethyl)metanilamide
CID 4391
3-Amino-N,N-diethyl-4-[(2-hydroxyethyl)amino]benzene-1-sulfonamide
CID 3733261
aniline, N'-(2-hydroxy)ethyl-4-sulphamoyl-
CID 43453767
N-[3-(dimethylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
CID 2884997
3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 110209336
3-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylbenzenesulfonamide
CID 132302627
1-[3-[(2,5-Dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol
CID 136546204
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
3-amino-N-butyl-5-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 55205305
3-Fluoro-4-(2-hydroxyethylamino)benzenesulfonamide
CID 60713069
3-Fluoro-4-(2-hydroxypropylamino)benzenesulfonamide
CID 60713072
3-Fluoro-4-(1-hydroxybutan-2-ylamino)benzenesulfonamide
CID 60713143

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-hydroxybutylamino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(2-hydroxybutylamino)benzenesulfonamide (CID 113491915) is 3-amino-5-(2-hydroxybutylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(2-hydroxybutylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(2-hydroxybutylamino)benzenesulfonamide is CCC(O)CNc1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(2-hydroxybutylamino)benzenesulfonamide?
The InChIKey is VSNWTJLBURBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-9(14)6-13-8-3-7(11)4-10(5-8)17(12,15)16/h3-5,9,13-14H,2,6,11H2,1H3,(H2,12,15,16).
What are the key properties of 3-amino-5-(2-hydroxybutylamino)benzenesulfonamide?
3-amino-5-(2-hydroxybutylamino)benzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-hydroxybutylamino)benzenesulfonamide is sourced from PubChem (CID 113491915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).