2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide

C11H17ClN2O4S — CID 106152688

IUPAC2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H17ClN2O4S/c1-18-7-9(4-5-15)14-19(16,17)11-3-2-8(12)6-10(11)13/h2-3,6,9,14-15H,4-5,7,13H2,1H3
InChIKeyOUJNDNKCZIBUHA-UHFFFAOYSA-N
MW308.79 g/mol
LogP0.60
Rot. Bonds7

About 2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide

2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 106152688) has the molecular formula C11H17ClN2O4S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
PubChem CID106152688
Molecular FormulaC11H17ClN2O4S
Molecular Weight308.79 g/mol
Exact Mass308.06
IUPAC Name2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H17ClN2O4S/c1-18-7-9(4-5-15)14-19(16,17)11-3-2-8(12)6-10(11)13/h2-3,6,9,14-15H,4-5,7,13H2,1H3
InChIKeyOUJNDNKCZIBUHA-UHFFFAOYSA-N
XLogP0.60
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 113495486
2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181731
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzenesulfonamide
CID 106156998
5-tert-butyl-N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]-2-methylbenzenesulfonamide
CID 97071037
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103861314
N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 113346258
2-amino-4-cyano-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 64897655
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
3-amino-5-chloro-N-(1-hydroxypentan-3-yl)-2-methylbenzenesulfonamide
CID 114380250
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103887495
3-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 106155850

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide (CID 106152688) is 2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide is COCC(CCO)NS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is OUJNDNKCZIBUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O4S/c1-18-7-9(4-5-15)14-19(16,17)11-3-2-8(12)6-10(11)13/h2-3,6,9,14-15H,4-5,7,13H2,1H3.
What are the key properties of 2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 308.79 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106152688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).