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

C11H17ClN2O3S — CID 113495486

IUPAC2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H17ClN2O3S/c1-2-9(5-6-15)14-18(16,17)11-4-3-8(12)7-10(11)13/h3-4,7,9,14-15H,2,5-6,13H2,1H3
InChIKeyCHZZHWBNDXTOJW-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.36
Rot. Bonds6

About 2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide

2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide (PubChem CID 113495486) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
PubChem CID113495486
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H17ClN2O3S/c1-2-9(5-6-15)14-18(16,17)11-4-3-8(12)7-10(11)13/h3-4,7,9,14-15H,2,5-6,13H2,1H3
InChIKeyCHZZHWBNDXTOJW-UHFFFAOYSA-N
XLogP1.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.36
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-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 106152688
3-amino-5-chloro-N-(1-hydroxypentan-3-yl)-2-methylbenzenesulfonamide
CID 114380250
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 104600082
2-chloro-4-cyano-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 103989511
2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343791
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
3-amino-5-chloro-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 114379488
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
CID 93081199
2-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106348107

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide (CID 113495486) is 2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide is CCC(CCO)NS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
The InChIKey is CHZZHWBNDXTOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-2-9(5-6-15)14-18(16,17)11-4-3-8(12)7-10(11)13/h3-4,7,9,14-15H,2,5-6,13H2,1H3.
What are the key properties of 2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 113495486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).