N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide

C20H22ClFN2O3S — CID 5008740

IUPACN-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C20H22ClFN2O3S/c21-16-9-5-6-10-18(16)23-20(25)14-11-12-17(22)19(13-14)28(26,27)24-15-7-3-1-2-4-8-15/h5-6,9-13,15,24H,1-4,7-8H2,(H,23,25)
InChIKeyLIAHCHPQEWQRCL-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.73
Rot. Bonds5

About N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide

N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide (PubChem CID 5008740) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide
PubChem CID5008740
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC NameN-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C20H22ClFN2O3S/c21-16-9-5-6-10-18(16)23-20(25)14-11-12-17(22)19(13-14)28(26,27)24-15-7-3-1-2-4-8-15/h5-6,9-13,15,24H,1-4,7-8H2,(H,23,25)
InChIKeyLIAHCHPQEWQRCL-UHFFFAOYSA-N
XLogP4.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
4-chloro-N-[4-(cyclohexylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892581
N-(2-chlorophenyl)-3-[(2-chlorophenyl)methylsulfamoyl]-4-fluorobenzamide
CID 3689795
4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892724
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 4229680
2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1356115
4-chloro-N-[4-(cyclopentylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892580
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445
N-[2-(cyclopropylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37029500

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide (CID 5008740) is N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide is O=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide?
The InChIKey is LIAHCHPQEWQRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c21-16-9-5-6-10-18(16)23-20(25)14-11-12-17(22)19(13-14)28(26,27)24-15-7-3-1-2-4-8-15/h5-6,9-13,15,24H,1-4,7-8H2,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide?
N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide has a molecular weight of 424.93 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 5008740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).