5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

C11H17ClN2O3S2 — CID 106242782

IUPAC5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H17ClN2O3S2/c1-11(15,7-18-2)6-14-19(16,17)10-5-8(13)3-4-9(10)12/h3-5,14-15H,6-7,13H2,1-2H3
InChIKeyWCXCQAJRQFQHHJ-UHFFFAOYSA-N
MW324.86 g/mol
LogP1.31
Rot. Bonds6

About 5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 106242782) has the molecular formula C11H17ClN2O3S2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID106242782
Molecular FormulaC11H17ClN2O3S2
Molecular Weight324.86 g/mol
Exact Mass324.04
IUPAC Name5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H17ClN2O3S2/c1-11(15,7-18-2)6-14-19(16,17)10-5-8(13)3-4-9(10)12/h3-5,14-15H,6-7,13H2,1-2H3
InChIKeyWCXCQAJRQFQHHJ-UHFFFAOYSA-N
XLogP1.31
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 51.31
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-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242744
5-amino-2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139709
5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
CID 106242702
2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 103835588
5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 29033224
3-amino-4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242953
4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
CID 106289599
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide
CID 66170118
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylbenzenesulfonamide
CID 103835619
2-[(5-amino-2-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567646
2-bromo-4-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 103835590
3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]-4-methylbenzoic acid
CID 106244678

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (CID 106242782) is 5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is CSCC(C)(O)CNS(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is WCXCQAJRQFQHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S2/c1-11(15,7-18-2)6-14-19(16,17)10-5-8(13)3-4-9(10)12/h3-5,14-15H,6-7,13H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 324.86 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 106242782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).