4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide

C13H10Cl2FNO3S2 — CID 57377342

IUPAC4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide
SMILESCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10Cl2FNO3S2/c1-21(18)12-4-2-9(15)7-11(12)17-22(19,20)13-5-3-8(14)6-10(13)16/h2-7,17H,1H3
InChIKeyWHUKNFDYHNAXGU-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.67
Rot. Bonds4

About 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide

4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 57377342) has the molecular formula C13H10Cl2FNO3S2 and a molecular weight of 382.27 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide
PubChem CID57377342
Molecular FormulaC13H10Cl2FNO3S2
Molecular Weight382.27 g/mol
Exact Mass380.95
IUPAC Name4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide
SMILESCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10Cl2FNO3S2/c1-21(18)12-4-2-9(15)7-11(12)17-22(19,20)13-5-3-8(14)6-10(13)16/h2-7,17H,1H3
InChIKeyWHUKNFDYHNAXGU-UHFFFAOYSA-N
XLogP3.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 229818
CID 229818
CID 341408
CID 341408
CID 555626
CID 555626
CID 306214
CID 306214
CID 710439
CID 710439
CID 310132
CID 310132
CID 2778591
CID 2778591
CID 766444
CID 766444
CID 341407
CID 341407
CID 4788452
CID 4788452
CID 57377341
CID 57377341
CID 57378320
CID 57378320

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide (CID 57377342) is 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide is CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is WHUKNFDYHNAXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO3S2/c1-21(18)12-4-2-9(15)7-11(12)17-22(19,20)13-5-3-8(14)6-10(13)16/h2-7,17H,1H3.
What are the key properties of 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide?
4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 382.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 57377342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).