5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide

C21H14Cl2N4O3S2 — CID 100688864

IUPAC5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H14Cl2N4O3S2/c22-14-8-6-13(7-9-14)20-25-26-21(31-20)24-19(28)17-12-15(10-11-18(17)23)27-32(29,30)16-4-2-1-3-5-16/h1-12,27H,(H,24,26,28)
InChIKeyLWQQXDQLCOPHFG-UHFFFAOYSA-N
MW505.41 g/mol
LogP5.57
Rot. Bonds6

About 5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide

5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 100688864) has the molecular formula C21H14Cl2N4O3S2 and a molecular weight of 505.41 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID100688864
Molecular FormulaC21H14Cl2N4O3S2
Molecular Weight505.41 g/mol
Exact Mass503.99
IUPAC Name5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H14Cl2N4O3S2/c22-14-8-6-13(7-9-14)20-25-26-21(31-20)24-19(28)17-12-15(10-11-18(17)23)27-32(29,30)16-4-2-1-3-5-16/h1-12,27H,(H,24,26,28)
InChIKeyLWQQXDQLCOPHFG-UHFFFAOYSA-N
XLogP5.57
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.41
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonamido)-2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100677926
2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
CID 24649213
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
4-chloro-N-[5-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100645181
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 24649153
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 100688864) is 5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is LWQQXDQLCOPHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O3S2/c22-14-8-6-13(7-9-14)20-25-26-21(31-20)24-19(28)17-12-15(10-11-18(17)23)27-32(29,30)16-4-2-1-3-5-16/h1-12,27H,(H,24,26,28).
What are the key properties of 5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 505.41 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 100688864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).