N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide

C14H12ClFN2O3S — CID 9090103

IUPACN-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1S(N)(=O)=O
InChIInChI=1S/C14H12ClFN2O3S/c1-8-5-6-9(7-12(8)22(17,20)21)14(19)18-11-4-2-3-10(15)13(11)16/h2-7H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyAYOWOVQYUCAGSJ-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.69
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide

N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide (PubChem CID 9090103) has the molecular formula C14H12ClFN2O3S and a molecular weight of 342.78 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
PubChem CID9090103
Molecular FormulaC14H12ClFN2O3S
Molecular Weight342.78 g/mol
Exact Mass342.02
IUPAC NameN-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1S(N)(=O)=O
InChIInChI=1S/C14H12ClFN2O3S/c1-8-5-6-9(7-12(8)22(17,20)21)14(19)18-11-4-2-3-10(15)13(11)16/h2-7H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyAYOWOVQYUCAGSJ-UHFFFAOYSA-N
XLogP2.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 34857713
N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 30138754
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36862429
N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
2-methyl-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 9089044
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide
CID 81459721
N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126412486

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide (CID 9090103) is N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1S(N)(=O)=O.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide?
The InChIKey is AYOWOVQYUCAGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3S/c1-8-5-6-9(7-12(8)22(17,20)21)14(19)18-11-4-2-3-10(15)13(11)16/h2-7H,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide?
N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide has a molecular weight of 342.78 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 9090103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).