2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide

C10H13Cl2NO4S — CID 66170118

IUPAC2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(O)(CO)CNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2NO4S/c1-10(15,6-14)5-13-18(16,17)9-4-7(11)2-3-8(9)12/h2-4,13-15H,5-6H2,1H3
InChIKeyJWVSLKXEBAKJOE-UHFFFAOYSA-N
MW314.19 g/mol
LogP1.01
Rot. Bonds5

About 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide

2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 66170118) has the molecular formula C10H13Cl2NO4S and a molecular weight of 314.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID66170118
Molecular FormulaC10H13Cl2NO4S
Molecular Weight314.19 g/mol
Exact Mass312.99
IUPAC Name2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(O)(CO)CNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2NO4S/c1-10(15,6-14)5-13-18(16,17)9-4-7(11)2-3-8(9)12/h2-4,13-15H,5-6H2,1H3
InChIKeyJWVSLKXEBAKJOE-UHFFFAOYSA-N
XLogP1.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide
CID 107848386
2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 90535544
5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242782
2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
CID 61127500
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxyethyl)acetamide
CID 126178977
2-chloro-N-(2-hydroxy-2-methylpentyl)-5-nitrobenzenesulfonamide
CID 106290345
2,5-dichloro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzenesulfonamide
CID 1487515
2-amino-4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242744
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173227
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide (CID 66170118) is 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide is CC(O)(CO)CNS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is JWVSLKXEBAKJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO4S/c1-10(15,6-14)5-13-18(16,17)9-4-7(11)2-3-8(9)12/h2-4,13-15H,5-6H2,1H3.
What are the key properties of 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide?
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 314.19 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 66170118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).