4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C15H17ClN4O3S2 — CID 25493625

IUPAC4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)s1
InChIInChI=1S/C15H17ClN4O3S2/c1-8(2)14-18-19-15(24-14)17-13(21)9-3-6-11(16)12(7-9)25(22,23)20-10-4-5-10/h3,6-8,10,20H,4-5H2,1-2H3,(H,17,19,21)
InChIKeyWSNDNMOSMAZTOQ-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.01
Rot. Bonds6

About 4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 25493625) has the molecular formula C15H17ClN4O3S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID25493625
Molecular FormulaC15H17ClN4O3S2
Molecular Weight400.91 g/mol
Exact Mass400.04
IUPAC Name4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)s1
InChIInChI=1S/C15H17ClN4O3S2/c1-8(2)14-18-19-15(24-14)17-13(21)9-3-6-11(16)12(7-9)25(22,23)20-10-4-5-10/h3,6-8,10,20H,4-5H2,1-2H3,(H,17,19,21)
InChIKeyWSNDNMOSMAZTOQ-UHFFFAOYSA-N
XLogP3.01
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624601
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 30279749
4-chloro-3-(cyclopropylsulfamoyl)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109619
4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 25493057
4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide
CID 80704050
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24529645
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-methylsulfonylbenzamide
CID 31289416
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 26210272
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 24506364

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 25493625) is 4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is CC(C)c1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)s1.
What is the InChIKey of 4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is WSNDNMOSMAZTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S2/c1-8(2)14-18-19-15(24-14)17-13(21)9-3-6-11(16)12(7-9)25(22,23)20-10-4-5-10/h3,6-8,10,20H,4-5H2,1-2H3,(H,17,19,21).
What are the key properties of 4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 400.91 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 25493625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).