2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide

C17H20ClN3O3S2 — CID 32865039

IUPAC2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C3CC3)cs2)c1
InChIInChI=1S/C17H20ClN3O3S2/c1-3-21(4-2)26(23,24)12-7-8-14(18)13(9-12)16(22)20-17-19-15(10-25-17)11-5-6-11/h7-11H,3-6H2,1-2H3,(H,19,20,22)
InChIKeyLVFIRUPYEGDPLZ-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.96
Rot. Bonds7

About 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide

2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide (PubChem CID 32865039) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide
PubChem CID32865039
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC Name2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C3CC3)cs2)c1
InChIInChI=1S/C17H20ClN3O3S2/c1-3-21(4-2)26(23,24)12-7-8-14(18)13(9-12)16(22)20-17-19-15(10-25-17)11-5-6-11/h7-11H,3-6H2,1-2H3,(H,19,20,22)
InChIKeyLVFIRUPYEGDPLZ-UHFFFAOYSA-N
XLogP3.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 33302522
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
CID 33301577
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide
CID 33302941
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 32864912
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 32869142
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
2-chloro-5-(dimethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 24657619
methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate
CID 55812102
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 70680664
4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 32864832

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide (CID 32865039) is 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C3CC3)cs2)c1.
What is the InChIKey of 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide?
The InChIKey is LVFIRUPYEGDPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c1-3-21(4-2)26(23,24)12-7-8-14(18)13(9-12)16(22)20-17-19-15(10-25-17)11-5-6-11/h7-11H,3-6H2,1-2H3,(H,19,20,22).
What are the key properties of 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide?
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide has a molecular weight of 413.95 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 32865039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).