2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

C14H15ClN2O3S2 — CID 91809475

IUPAC2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=c1[nH]c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCC3)c2)cs1
InChIInChI=1S/C14H15ClN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18)
InChIKeyPBWTZCXFWIEPCV-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.98
Rot. Bonds4

About 2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 91809475) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID91809475
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=c1[nH]c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCC3)c2)cs1
InChIInChI=1S/C14H15ClN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18)
InChIKeyPBWTZCXFWIEPCV-UHFFFAOYSA-N
XLogP2.98
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 118732072
2-[2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]-2-oxoacetic acid
CID 174573531
2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
CID 4115562
methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate
CID 69471701
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide
CID 158210629
2-[2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-5-methoxy-1H-indol-3-yl]-2-oxoacetic acid
CID 141152292
4-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-4-oxobutanoic acid
CID 23329158
4-[4-chloro-3-(cycloheptylsulfamoyl)phenyl]-4-oxobutanoic acid
CID 69468983
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (CID 91809475) is 2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is O=c1[nH]c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCC3)c2)cs1.
What is the InChIKey of 2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is PBWTZCXFWIEPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18).
What are the key properties of 2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 358.87 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 91809475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).