3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide

C12H6Cl5NO2S — CID 4693261

IUPAC3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl5NO2S/c13-7-2-1-6(3-8(7)14)21(19,20)18-12-5-10(16)9(15)4-11(12)17/h1-5,18H
InChIKeyYKRGQLGNAQIWQW-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.75
Rot. Bonds3

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

3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide (PubChem CID 4693261) has the molecular formula C12H6Cl5NO2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
PubChem CID4693261
Molecular FormulaC12H6Cl5NO2S
Molecular Weight405.52 g/mol
Exact Mass402.86
IUPAC Name3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl5NO2S/c13-7-2-1-6(3-8(7)14)21(19,20)18-12-5-10(16)9(15)4-11(12)17/h1-5,18H
InChIKeyYKRGQLGNAQIWQW-UHFFFAOYSA-N
XLogP5.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide
CID 4731003
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603
N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 107697982
3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 112811750
4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 63677626
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
3,4-dichlorobenzenesulfonohydrazide
CID 2735965

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide (CID 4693261) is 3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The InChIKey is YKRGQLGNAQIWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl5NO2S/c13-7-2-1-6(3-8(7)14)21(19,20)18-12-5-10(16)9(15)4-11(12)17/h1-5,18H.
What are the key properties of 3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 4693261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).