N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide

C19H13ClF2N2O4S — CID 3666144

IUPACN-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)c1ccc(F)cc1F
InChIInChI=1S/C19H13ClF2N2O4S/c20-11-1-4-13(5-2-11)24-29(27,28)14-6-8-18(25)17(10-14)23-19(26)15-7-3-12(21)9-16(15)22/h1-10,24-25H,(H,23,26)
InChIKeyVBZUXOYCCREYOL-UHFFFAOYSA-N
MW438.84 g/mol
LogP4.38
Rot. Bonds5

About N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide

N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide (PubChem CID 3666144) has the molecular formula C19H13ClF2N2O4S and a molecular weight of 438.84 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
PubChem CID3666144
Molecular FormulaC19H13ClF2N2O4S
Molecular Weight438.84 g/mol
Exact Mass438.03
IUPAC NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)c1ccc(F)cc1F
InChIInChI=1S/C19H13ClF2N2O4S/c20-11-1-4-13(5-2-11)24-29(27,28)14-6-8-18(25)17(10-14)23-19(26)15-7-3-12(21)9-16(15)22/h1-10,24-25H,(H,23,26)
InChIKeyVBZUXOYCCREYOL-UHFFFAOYSA-N
XLogP4.38
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
CID 4129647
N-(5-chloro-2-hydroxyphenyl)-3-[(dimethylamino)sulfonyl]benzamide
CID 1262342
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
CID 1087788
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 3320895
4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 4659956
N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 5012901
N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25162618
N-(2-hydroxyphenyl)-3-[(2-hydroxyphenyl)sulfamoyl]benzamide
CID 1099210
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidinosulfonyl-phenyl)benzamide;hydrochloride
CID 3654822
N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,2-dimethylpropanamide
CID 4374113
CID 15945362
CID 15945362
Cambridge id 6676395
CID 40569558

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide (CID 3666144) is N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide is O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide?
The InChIKey is VBZUXOYCCREYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O4S/c20-11-1-4-13(5-2-11)24-29(27,28)14-6-8-18(25)17(10-14)23-19(26)15-7-3-12(21)9-16(15)22/h1-10,24-25H,(H,23,26).
What are the key properties of N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide?
N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide has a molecular weight of 438.84 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 3666144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).