4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid

C13H9Cl2NO5S — CID 45330209

IUPAC4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1O
InChIInChI=1S/C13H9Cl2NO5S/c14-7-3-8(15)5-10(4-7)22(20,21)16-9-1-2-11(13(18)19)12(17)6-9/h1-6,16-17H,(H,18,19)
InChIKeyJVQVVSNNCLQCDZ-UHFFFAOYSA-N
MW362.19 g/mol
LogP3.20
Rot. Bonds4

About 4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid

4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 45330209) has the molecular formula C13H9Cl2NO5S and a molecular weight of 362.19 g/mol. Its IUPAC name is 4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID45330209
Molecular FormulaC13H9Cl2NO5S
Molecular Weight362.19 g/mol
Exact Mass360.96
IUPAC Name4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1O
InChIInChI=1S/C13H9Cl2NO5S/c14-7-3-8(15)5-10(4-7)22(20,21)16-9-1-2-11(13(18)19)12(17)6-9/h1-6,16-17H,(H,18,19)
InChIKeyJVQVVSNNCLQCDZ-UHFFFAOYSA-N
XLogP3.20
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
CID 56595847
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596353
3-chloro-5-hydroxy-N-phenylbenzenesulfonamide
CID 70056195
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596202
2-hydroxy-4-[[3-[4-(methoxycarbonylamino)phenyl]phenyl]sulfonylamino]benzoic acid
CID 56596050
4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167825514
2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62375790

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid (CID 45330209) is 4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1O.
What is the InChIKey of 4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is JVQVVSNNCLQCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO5S/c14-7-3-8(15)5-10(4-7)22(20,21)16-9-1-2-11(13(18)19)12(17)6-9/h1-6,16-17H,(H,18,19).
What are the key properties of 4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 362.19 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 45330209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).