N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide

C13H11ClFNO2S — CID 711089

IUPACN-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11ClFNO2S/c1-9-12(14)3-2-4-13(9)16-19(17,18)11-7-5-10(15)6-8-11/h2-8,16H,1H3
InChIKeyKFYLTOOSQRSNRF-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.59
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide

N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 711089) has the molecular formula C13H11ClFNO2S and a molecular weight of 299.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
PubChem CID711089
Molecular FormulaC13H11ClFNO2S
Molecular Weight299.75 g/mol
Exact Mass299.02
IUPAC NameN-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11ClFNO2S/c1-9-12(14)3-2-4-13(9)16-19(17,18)11-7-5-10(15)6-8-11/h2-8,16H,1H3
InChIKeyKFYLTOOSQRSNRF-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide
CID 6456762
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175722965
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157
N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760025
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
4-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058337

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide (CID 711089) is N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is KFYLTOOSQRSNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2S/c1-9-12(14)3-2-4-13(9)16-19(17,18)11-7-5-10(15)6-8-11/h2-8,16H,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide?
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 299.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 711089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).