N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide

C14H13ClFNO3S — CID 974570

IUPACN-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFNO3S/c1-9-3-6-13(20-2)14(7-9)21(18,19)17-10-4-5-12(16)11(15)8-10/h3-8,17H,1-2H3
InChIKeyCMTKXUWNUYZHHV-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.60
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide

N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 974570) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID974570
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFNO3S/c1-9-3-6-13(20-2)14(7-9)21(18,19)17-10-4-5-12(16)11(15)8-10/h3-8,17H,1-2H3
InChIKeyCMTKXUWNUYZHHV-UHFFFAOYSA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide (CID 974570) is N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is CMTKXUWNUYZHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-9-3-6-13(20-2)14(7-9)21(18,19)17-10-4-5-12(16)11(15)8-10/h3-8,17H,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 974570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).