2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide

C17H14Cl2N4O3S2 — CID 1184571

IUPAC2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)s1
InChIInChI=1S/C17H14Cl2N4O3S2/c1-2-15-21-22-17(27-15)23-28(25,26)12-6-4-11(5-7-12)20-16(24)13-9-10(18)3-8-14(13)19/h3-9H,2H2,1H3,(H,20,24)(H,22,23)
InChIKeyUGGRRSSAKDSLHM-UHFFFAOYSA-N
MW457.36 g/mol
LogP4.46
Rot. Bonds6

About 2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide

2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1184571) has the molecular formula C17H14Cl2N4O3S2 and a molecular weight of 457.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID1184571
Molecular FormulaC17H14Cl2N4O3S2
Molecular Weight457.36 g/mol
Exact Mass455.99
IUPAC Name2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)s1
InChIInChI=1S/C17H14Cl2N4O3S2/c1-2-15-21-22-17(27-15)23-28(25,26)12-6-4-11(5-7-12)20-16(24)13-9-10(18)3-8-14(13)19/h3-9H,2H2,1H3,(H,20,24)(H,22,23)
InChIKeyUGGRRSSAKDSLHM-UHFFFAOYSA-N
XLogP4.46
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
CID 1615340
N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 1077798
4-chloro-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 4014636
4-cyano-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 1554444
5-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1561767
4-(dipropylsulfamoyl)-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 2839288
3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
CID 5110222
2,4-dichloro-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 1040304
3-(2-chlorophenyl)-N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)acrylamide
CID 1312344
4-(diethylsulfamoyl)-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 3376168
N-{4-[(5-Ethyl-1,3,4-thiadiazol-2-YL)sulfamoyl]phenyl}-2-methylbenzamide
CID 4247716
N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)-2-fluorobenzamide
CID 1069381

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (CID 1184571) is 2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)s1.
What is the InChIKey of 2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is UGGRRSSAKDSLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3S2/c1-2-15-21-22-17(27-15)23-28(25,26)12-6-4-11(5-7-12)20-16(24)13-9-10(18)3-8-14(13)19/h3-9H,2H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 457.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1184571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).