2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C17H22ClN5O3S2 — CID 2397908

IUPAC2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)s1
InChIInChI=1S/C17H22ClN5O3S2/c1-3-15-20-21-17(27-15)19-16(24)13-11-12(5-6-14(13)18)28(25,26)23-9-7-22(4-2)8-10-23/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,21,24)
InChIKeyHLCPBDOGERPHKY-UHFFFAOYSA-N
MW443.98 g/mol
LogP2.33
Rot. Bonds6

About 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2397908) has the molecular formula C17H22ClN5O3S2 and a molecular weight of 443.98 g/mol. Its IUPAC name is 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2397908
Molecular FormulaC17H22ClN5O3S2
Molecular Weight443.98 g/mol
Exact Mass443.09
IUPAC Name2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)s1
InChIInChI=1S/C17H22ClN5O3S2/c1-3-15-20-21-17(27-15)19-16(24)13-11-12(5-6-14(13)18)28(25,26)23-9-7-22(4-2)8-10-23/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,21,24)
InChIKeyHLCPBDOGERPHKY-UHFFFAOYSA-N
XLogP2.33
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(4-Benzyl-piperazine-1-sulfonyl)-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 650132
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
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
3-(4-methylpiperazin-1-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 24979648

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2397908) is 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)s1.
What is the InChIKey of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HLCPBDOGERPHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O3S2/c1-3-15-20-21-17(27-15)19-16(24)13-11-12(5-6-14(13)18)28(25,26)23-9-7-22(4-2)8-10-23/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,21,24).
What are the key properties of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 443.98 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2397908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).