2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide

C20H15ClFN3O4S — CID 36525049

IUPAC2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)ccc1Cl
InChIInChI=1S/C20H15ClFN3O4S/c21-16-10-7-13(11-15(16)19(23)26)24-20(27)12-5-8-14(9-6-12)30(28,29)25-18-4-2-1-3-17(18)22/h1-11,25H,(H2,23,26)(H,24,27)
InChIKeyNVOUNTRCWPDKQP-UHFFFAOYSA-N
MW447.88 g/mol
LogP3.63
Rot. Bonds6

About 2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide

2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 36525049) has the molecular formula C20H15ClFN3O4S and a molecular weight of 447.88 g/mol. Its IUPAC name is 2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID36525049
Molecular FormulaC20H15ClFN3O4S
Molecular Weight447.88 g/mol
Exact Mass447.05
IUPAC Name2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)ccc1Cl
InChIInChI=1S/C20H15ClFN3O4S/c21-16-10-7-13(11-15(16)19(23)26)24-20(27)12-5-8-14(9-6-12)30(28,29)25-18-4-2-1-3-17(18)22/h1-11,25H,(H2,23,26)(H,24,27)
InChIKeyNVOUNTRCWPDKQP-UHFFFAOYSA-N
XLogP3.63
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.88
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 56573065
5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide
CID 36525734
N-(4-cyanophenyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 26699329
4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576215
[4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea
CID 169358585
4-[(2-fluorophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 4801926
4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 4785273
2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 55990230
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide
CID 18892993
N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide (CID 36525049) is 2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide is NC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is NVOUNTRCWPDKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O4S/c21-16-10-7-13(11-15(16)19(23)26)24-20(27)12-5-8-14(9-6-12)30(28,29)25-18-4-2-1-3-17(18)22/h1-11,25H,(H2,23,26)(H,24,27).
What are the key properties of 2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 447.88 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 36525049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).