3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide

C12H5Cl6NO3S — CID 22763232

IUPAC3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)c(Cl)c1Cl)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H5Cl6NO3S/c13-4-1-6(15)12(20)8(2-4)23(21,22)19-7-3-5(14)9(16)11(18)10(7)17/h1-3,19-20H
InChIKeyWABIWPLBVREHOQ-UHFFFAOYSA-N
MW455.96 g/mol
LogP6.11
Rot. Bonds3

About 3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide

3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide (PubChem CID 22763232) has the molecular formula C12H5Cl6NO3S and a molecular weight of 455.96 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide
PubChem CID22763232
Molecular FormulaC12H5Cl6NO3S
Molecular Weight455.96 g/mol
Exact Mass452.81
IUPAC Name3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)c(Cl)c1Cl)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H5Cl6NO3S/c13-4-1-6(15)12(20)8(2-4)23(21,22)19-7-3-5(14)9(16)11(18)10(7)17/h1-3,19-20H
InChIKeyWABIWPLBVREHOQ-UHFFFAOYSA-N
XLogP6.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.96
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3697865
2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide
CID 22763219
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
CID 146545964
3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
CID 74227839
N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 25036035
3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide
CID 146545886
3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt
CID 87271498
barium(2+);bis(3,5-dichloro-2-hydroxybenzenesulfonate)
CID 139842253
3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide
CID 3751185
2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545806
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide (CID 22763232) is 3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)c(Cl)c1Cl)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide?
The InChIKey is WABIWPLBVREHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl6NO3S/c13-4-1-6(15)12(20)8(2-4)23(21,22)19-7-3-5(14)9(16)11(18)10(7)17/h1-3,19-20H.
What are the key properties of 3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide?
3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide has a molecular weight of 455.96 g/mol, XLogP of 6.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide is sourced from PubChem (CID 22763232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).