2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide

C15H13ClF2N2O3S — CID 2672941

IUPAC2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C15H13ClF2N2O3S/c1-20(2)24(22,23)10-5-3-9(4-6-10)19-15(21)11-7-13(17)14(18)8-12(11)16/h3-8H,1-2H3,(H,19,21)
InChIKeyLIOLUONQWNYVPK-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.12
Rot. Bonds4

About 2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide

2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide (PubChem CID 2672941) has the molecular formula C15H13ClF2N2O3S and a molecular weight of 374.80 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide
PubChem CID2672941
Molecular FormulaC15H13ClF2N2O3S
Molecular Weight374.80 g/mol
Exact Mass374.03
IUPAC Name2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C15H13ClF2N2O3S/c1-20(2)24(22,23)10-5-3-9(4-6-10)19-15(21)11-7-13(17)14(18)8-12(11)16/h3-8H,1-2H3,(H,19,21)
InChIKeyLIOLUONQWNYVPK-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
Benzeneacetamide, N-(4-(aminosulfonyl)-2-chlorophenyl)-
CID 3051968
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
CID 4180608
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
(2E)-3-(2-chlorophenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2520594
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155557452
4-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168278167
N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4338027
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
3-fluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 6457724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide (CID 2672941) is 2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide?
The InChIKey is LIOLUONQWNYVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O3S/c1-20(2)24(22,23)10-5-3-9(4-6-10)19-15(21)11-7-13(17)14(18)8-12(11)16/h3-8H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide?
2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide has a molecular weight of 374.80 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide is sourced from PubChem (CID 2672941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).