4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide

C12H19ClN2O3S — CID 106289599

IUPAC4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-3-6-12(2,16)8-15-19(17,18)11-5-4-9(14)7-10(11)13/h4-5,7,15-16H,3,6,8,14H2,1-2H3
InChIKeyHYCJHPGZWCQHPP-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.75
Rot. Bonds6

About 4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide

4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide (PubChem CID 106289599) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
PubChem CID106289599
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-3-6-12(2,16)8-15-19(17,18)11-5-4-9(14)7-10(11)13/h4-5,7,15-16H,3,6,8,14H2,1-2H3
InChIKeyHYCJHPGZWCQHPP-UHFFFAOYSA-N
XLogP1.75
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.75
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-amino-2-bromo-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
CID 106289563
5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242782
2-chloro-N-(2-hydroxy-2-methylpentyl)-5-nitrobenzenesulfonamide
CID 106290345
5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
CID 106290279
4-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-methoxybenzenesulfonamide
CID 106249681
3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide
CID 103835335
4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65110641
3-fluoro-4-[(2-hydroxy-2-methylpentyl)sulfamoyl]benzoic acid
CID 106290816
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
5-amino-2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139709
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide (CID 106289599) is 4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide is CCCC(C)(O)CNS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide?
The InChIKey is HYCJHPGZWCQHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-3-6-12(2,16)8-15-19(17,18)11-5-4-9(14)7-10(11)13/h4-5,7,15-16H,3,6,8,14H2,1-2H3.
What are the key properties of 4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide?
4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide has a molecular weight of 306.81 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide is sourced from PubChem (CID 106289599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).