5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide

C19H19F2N3O4S — CID 56570757

IUPAC5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide
SMILESNC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c(F)cc1F
InChIInChI=1S/C19H19F2N3O4S/c20-15-10-16(21)17(9-14(15)18(22)25)23-19(26)11-4-3-7-13(8-11)29(27,28)24-12-5-1-2-6-12/h3-4,7-10,12,24H,1-2,5-6H2,(H2,22,25)(H,23,26)
InChIKeyBMIZKFBBFHHYRH-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.54
Rot. Bonds6

About 5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide

5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide (PubChem CID 56570757) has the molecular formula C19H19F2N3O4S and a molecular weight of 423.44 g/mol. Its IUPAC name is 5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide
PubChem CID56570757
Molecular FormulaC19H19F2N3O4S
Molecular Weight423.44 g/mol
Exact Mass423.11
IUPAC Name5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide
SMILESNC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c(F)cc1F
InChIInChI=1S/C19H19F2N3O4S/c20-15-10-16(21)17(9-14(15)18(22)25)23-19(26)11-4-3-7-13(8-11)29(27,28)24-12-5-1-2-6-12/h3-4,7-10,12,24H,1-2,5-6H2,(H2,22,25)(H,23,26)
InChIKeyBMIZKFBBFHHYRH-UHFFFAOYSA-N
XLogP2.54
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445
3-(cyclopentylsulfamoyl)benzenecarbothioamide
CID 24690582
N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 120568619
3-(cycloheptylsulfamoyl)benzenecarbothioamide
CID 43346188
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388
N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 118396952
4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide
CID 46465029
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
4-chloro-N-[4-(cyclopentylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892580

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide?
The IUPAC name of 5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide (CID 56570757) is 5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide is NC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c(F)cc1F.
What is the InChIKey of 5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide?
The InChIKey is BMIZKFBBFHHYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4S/c20-15-10-16(21)17(9-14(15)18(22)25)23-19(26)11-4-3-7-13(8-11)29(27,28)24-12-5-1-2-6-12/h3-4,7-10,12,24H,1-2,5-6H2,(H2,22,25)(H,23,26).
What are the key properties of 5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide?
5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide has a molecular weight of 423.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide is sourced from PubChem (CID 56570757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).