N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide

C19H19BrClFN2O4S — CID 130254615

IUPACN-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide
SMILESCOC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C19H19BrClFN2O4S/c1-28-18-4-2-3-17(18)24-29(26,27)12-6-7-15(21)13(10-12)19(25)23-11-5-8-16(22)14(20)9-11/h5-10,17-18,24H,2-4H2,1H3,(H,23,25)
InChIKeyQFSFQLSWLARMDY-UHFFFAOYSA-N
MW505.79 g/mol
LogP4.34
Rot. Bonds6

About N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide

N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide (PubChem CID 130254615) has the molecular formula C19H19BrClFN2O4S and a molecular weight of 505.79 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide
PubChem CID130254615
Molecular FormulaC19H19BrClFN2O4S
Molecular Weight505.79 g/mol
Exact Mass503.99
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide
SMILESCOC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C19H19BrClFN2O4S/c1-28-18-4-2-3-17(18)24-29(26,27)12-6-7-15(21)13(10-12)19(25)23-11-5-8-16(22)14(20)9-11/h5-10,17-18,24H,2-4H2,1H3,(H,23,25)
InChIKeyQFSFQLSWLARMDY-UHFFFAOYSA-N
XLogP4.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.79
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 130254599
N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-bromo-4-fluorophenyl)-4-chloro-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-chloro-N-(3-chloro-4-fluorophenyl)-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;4-chloro-N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide
CID 159647372
N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 4190481
3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide
CID 107090747
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
5-(cyclopentylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190475
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
5-(cyclopentylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 4643786
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
5-(cyclohexylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190474
2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide
CID 62088634

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide (CID 130254615) is N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide is COC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)c(Br)c2)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide?
The InChIKey is QFSFQLSWLARMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClFN2O4S/c1-28-18-4-2-3-17(18)24-29(26,27)12-6-7-15(21)13(10-12)19(25)23-11-5-8-16(22)14(20)9-11/h5-10,17-18,24H,2-4H2,1H3,(H,23,25).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide?
N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide has a molecular weight of 505.79 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide is sourced from PubChem (CID 130254615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).