N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide

C19H21BrN2O4S — CID 26536733

IUPACN-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C19H21BrN2O4S/c1-26-17-11-10-13(19(23)21-16-9-5-4-8-15(16)20)12-18(17)27(24,25)22-14-6-2-3-7-14/h4-5,8-12,14,22H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyISQOLUCDBJAALB-UHFFFAOYSA-N
MW453.36 g/mol
LogP3.93
Rot. Bonds6

About N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide

N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide (PubChem CID 26536733) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
PubChem CID26536733
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC NameN-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C19H21BrN2O4S/c1-26-17-11-10-13(19(23)21-16-9-5-4-8-15(16)20)12-18(17)27(24,25)22-14-6-2-3-7-14/h4-5,8-12,14,22H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyISQOLUCDBJAALB-UHFFFAOYSA-N
XLogP3.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 29435478
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700493
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
CID 26102322
methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate
CID 38201593
3-(cyclopentylsulfamoyl)-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031433
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide
CID 34758523
N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
CID 100795505
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46644366

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide (CID 26536733) is N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The InChIKey is ISQOLUCDBJAALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c1-26-17-11-10-13(19(23)21-16-9-5-4-8-15(16)20)12-18(17)27(24,25)22-14-6-2-3-7-14/h4-5,8-12,14,22H,2-3,6-7H2,1H3,(H,21,23).
What are the key properties of N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide has a molecular weight of 453.36 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 26536733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).