3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide

C13H8Cl3NO3S — CID 11462674

IUPAC3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl3NO3S/c14-9-2-4-10(5-3-9)21(19,20)17-13(18)8-1-6-11(15)12(16)7-8/h1-7H,(H,17,18)
InChIKeyATFCNMCKFNFIFR-UHFFFAOYSA-N
MW364.64 g/mol
LogP3.77
Rot. Bonds3

About 3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide

3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide (PubChem CID 11462674) has the molecular formula C13H8Cl3NO3S and a molecular weight of 364.64 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide
PubChem CID11462674
Molecular FormulaC13H8Cl3NO3S
Molecular Weight364.64 g/mol
Exact Mass362.93
IUPAC Name3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl3NO3S/c14-9-2-4-10(5-3-9)21(19,20)17-13(18)8-1-6-11(15)12(16)7-8/h1-7H,(H,17,18)
InChIKeyATFCNMCKFNFIFR-UHFFFAOYSA-N
XLogP3.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.64
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,4-dichlorobenzoyl]phenylsulfonamide
CID 9968373
4-Chloro-N-(4-chlorobenzenesulfonyl)benzamide
CID 837182
LY-33169
CID 10021712
2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide
CID 11176518
2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide
CID 11188738
2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide
CID 11244838
2,4-dichloro-N-(3-chlorophenyl)sulfonylbenzamide
CID 11245472
2,4-dichloro-N-(3-chloro-4-methylphenyl)sulfonylbenzamide
CID 11245920
2,4-dichloro-N-(3-methylphenyl)sulfonylbenzamide
CID 11393780
4-chloro-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide
CID 11445097
2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide
CID 11473497
2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11763954

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide?
The IUPAC name of 3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide (CID 11462674) is 3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide?
The canonical SMILES for 3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide?
The InChIKey is ATFCNMCKFNFIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO3S/c14-9-2-4-10(5-3-9)21(19,20)17-13(18)8-1-6-11(15)12(16)7-8/h1-7H,(H,17,18).
What are the key properties of 3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide?
3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide has a molecular weight of 364.64 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 11462674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).