N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide

C19H20ClFN2O4S — CID 41451558

IUPACN-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C19H20ClFN2O4S/c1-27-17-9-6-12(19(24)22-14-7-8-16(21)15(20)11-14)10-18(17)28(25,26)23-13-4-2-3-5-13/h6-11,13,23H,2-5H2,1H3,(H,22,24)
InChIKeyXZXFABWEMJTRJY-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.96
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide

N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide (PubChem CID 41451558) has the molecular formula C19H20ClFN2O4S and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
PubChem CID41451558
Molecular FormulaC19H20ClFN2O4S
Molecular Weight426.90 g/mol
Exact Mass426.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C19H20ClFN2O4S/c1-27-17-9-6-12(19(24)22-14-7-8-16(21)15(20)11-14)10-18(17)28(25,26)23-13-4-2-3-5-13/h6-11,13,23H,2-5H2,1H3,(H,22,24)
InChIKeyXZXFABWEMJTRJY-UHFFFAOYSA-N
XLogP3.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2083342
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2683094
N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 29435478
N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
CID 100795505
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate
CID 38201593
3-(cyclopentylsulfamoyl)-4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42147015
N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26198372
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 55377344
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46530018
3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 4229680

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide (CID 41451558) is N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The InChIKey is XZXFABWEMJTRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4S/c1-27-17-9-6-12(19(24)22-14-7-8-16(21)15(20)11-14)10-18(17)28(25,26)23-13-4-2-3-5-13/h6-11,13,23H,2-5H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide has a molecular weight of 426.90 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 41451558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).