2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide

C15H17ClN4O3S2 — CID 1332728

IUPAC2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)s1
InChIInChI=1S/C15H17ClN4O3S2/c1-10-18-19-15(24-10)17-14(21)12-9-11(5-6-13(12)16)25(22,23)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3,(H,17,19,21)
InChIKeyDRKKCBWWDUYYQG-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.93
Rot. Bonds4

About 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 1332728) has the molecular formula C15H17ClN4O3S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID1332728
Molecular FormulaC15H17ClN4O3S2
Molecular Weight400.91 g/mol
Exact Mass400.04
IUPAC Name2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)s1
InChIInChI=1S/C15H17ClN4O3S2/c1-10-18-19-15(24-10)17-14(21)12-9-11(5-6-13(12)16)25(22,23)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3,(H,17,19,21)
InChIKeyDRKKCBWWDUYYQG-UHFFFAOYSA-N
XLogP2.93
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1284554
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 1547913
2-Chloro-5-diethylsulfamoyl-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 649199
4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 745411
3-(diethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1117931
2-Chloro-5-diethylsulfamoyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1117935
2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1310230
4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2080537
2-Chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-phenylpiperazine-1-sulfonyl)benzamide
CID 2398837
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-(1-piperidinylsulfonyl)benzamide
CID 2995070
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4663171
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24820017

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide (CID 1332728) is 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide is Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)s1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DRKKCBWWDUYYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S2/c1-10-18-19-15(24-10)17-14(21)12-9-11(5-6-13(12)16)25(22,23)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3,(H,17,19,21).
What are the key properties of 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 400.91 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1332728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).