2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide

C19H18ClF3N2O4S — CID 130254599

IUPAC2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide
SMILESCOC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C19H18ClF3N2O4S/c1-29-17-4-2-3-16(17)25-30(27,28)11-5-6-13(20)12(9-11)19(26)24-10-7-14(21)18(23)15(22)8-10/h5-9,16-17,25H,2-4H2,1H3,(H,24,26)
InChIKeyANCQTPAVWWDHGS-UHFFFAOYSA-N
MW462.88 g/mol
LogP3.86
Rot. Bonds6

About 2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide

2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 130254599) has the molecular formula C19H18ClF3N2O4S and a molecular weight of 462.88 g/mol. Its IUPAC name is 2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID130254599
Molecular FormulaC19H18ClF3N2O4S
Molecular Weight462.88 g/mol
Exact Mass462.06
IUPAC Name2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide
SMILESCOC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C19H18ClF3N2O4S/c1-29-17-4-2-3-16(17)25-30(27,28)11-5-6-13(20)12(9-11)19(26)24-10-7-14(21)18(23)15(22)8-10/h5-9,16-17,25H,2-4H2,1H3,(H,24,26)
InChIKeyANCQTPAVWWDHGS-UHFFFAOYSA-N
XLogP3.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.88
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide
CID 130254615
N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 4190481
3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide
CID 107090747
5-(cyclopentylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190475
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide
CID 62088716
5-(cyclohexylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190474
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
N-(2-methoxycyclopentyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146356
3-fluoro-4-[(2-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 79177880
2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide
CID 62088634

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide (CID 130254599) is 2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide is COC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of 2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is ANCQTPAVWWDHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O4S/c1-29-17-4-2-3-16(17)25-30(27,28)11-5-6-13(20)12(9-11)19(26)24-10-7-14(21)18(23)15(22)8-10/h5-9,16-17,25H,2-4H2,1H3,(H,24,26).
What are the key properties of 2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide?
2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 462.88 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 130254599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).