5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide

C13H9Cl2FN2O3S — CID 39331681

IUPAC5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1F
InChIInChI=1S/C13H9Cl2FN2O3S/c14-10-3-2-8(6-11(10)15)22(20,21)18-7-1-4-12(16)9(5-7)13(17)19/h1-6,18H,(H2,17,19)
InChIKeyJDWDRVQGXDXIHO-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.03
Rot. Bonds4

About 5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide

5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide (PubChem CID 39331681) has the molecular formula C13H9Cl2FN2O3S and a molecular weight of 363.20 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide
PubChem CID39331681
Molecular FormulaC13H9Cl2FN2O3S
Molecular Weight363.20 g/mol
Exact Mass361.97
IUPAC Name5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1F
InChIInChI=1S/C13H9Cl2FN2O3S/c14-10-3-2-8(6-11(10)15)22(20,21)18-7-1-4-12(16)9(5-7)13(17)19/h1-6,18H,(H2,17,19)
InChIKeyJDWDRVQGXDXIHO-UHFFFAOYSA-N
XLogP3.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide
CID 35546879
2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692467
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
CID 64788086
5-[(4-bromophenyl)sulfonylamino]-2-fluorobenzenecarbothioamide
CID 62315608
4-[(4-chloro-3-fluorophenyl)sulfamoyl]benzenecarbothioamide
CID 61470137
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
2-fluoro-5-[(3-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 62317901
methyl 2-chloro-5-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoate
CID 51121376
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
5-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 134623243

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide?
The IUPAC name of 5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide (CID 39331681) is 5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide is NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1F.
What is the InChIKey of 5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide?
The InChIKey is JDWDRVQGXDXIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O3S/c14-10-3-2-8(6-11(10)15)22(20,21)18-7-1-4-12(16)9(5-7)13(17)19/h1-6,18H,(H2,17,19).
What are the key properties of 5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide?
5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide has a molecular weight of 363.20 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide is sourced from PubChem (CID 39331681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).