4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide

C11H18N2O3S — CID 104600082

IUPAC4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O3S/c1-2-10(7-8-14)13-17(15,16)11-5-3-9(12)4-6-11/h3-6,10,13-14H,2,7-8,12H2,1H3
InChIKeyQKXGYOKFDMBRAO-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.71
Rot. Bonds6

About 4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide

4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide (PubChem CID 104600082) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide
PubChem CID104600082
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O3S/c1-2-10(7-8-14)13-17(15,16)11-5-3-9(12)4-6-11/h3-6,10,13-14H,2,7-8,12H2,1H3
InChIKeyQKXGYOKFDMBRAO-UHFFFAOYSA-N
XLogP0.71
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.71
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

4-(2-chloroethyl)-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755137
4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide
CID 115755168
N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 115755254
2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 113495486
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 67276511
N-(1-hydroxypentan-3-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 115755182
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958116

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide (CID 104600082) is 4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide is CCC(CCO)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
The InChIKey is QKXGYOKFDMBRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-2-10(7-8-14)13-17(15,16)11-5-3-9(12)4-6-11/h3-6,10,13-14H,2,7-8,12H2,1H3.
What are the key properties of 4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 104600082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).