3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C17H14Cl2N4O3S2 — CID 29410650

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)s1
InChIInChI=1S/C17H14Cl2N4O3S2/c1-2-15-21-22-17(27-15)20-16(24)10-4-3-5-11(8-10)23-28(25,26)12-6-7-13(18)14(19)9-12/h3-9,23H,2H2,1H3,(H,20,22,24)
InChIKeyPSAYWQYZVSTPKS-UHFFFAOYSA-N
MW457.36 g/mol
LogP4.46
Rot. Bonds6

About 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29410650) has the molecular formula C17H14Cl2N4O3S2 and a molecular weight of 457.36 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29410650
Molecular FormulaC17H14Cl2N4O3S2
Molecular Weight457.36 g/mol
Exact Mass455.99
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)s1
InChIInChI=1S/C17H14Cl2N4O3S2/c1-2-15-21-22-17(27-15)20-16(24)10-4-3-5-11(8-10)23-28(25,26)12-6-7-13(18)14(19)9-12/h3-9,23H,2H2,1H3,(H,20,22,24)
InChIKeyPSAYWQYZVSTPKS-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

3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111798
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 155967978
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111874
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 29410773
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2379114
3-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 33102554
3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
3-[(4-chlorophenyl)sulfonylamino]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 121042912

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 29410650) is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)s1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is PSAYWQYZVSTPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3S2/c1-2-15-21-22-17(27-15)20-16(24)10-4-3-5-11(8-10)23-28(25,26)12-6-7-13(18)14(19)9-12/h3-9,23H,2H2,1H3,(H,20,22,24).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)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 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29410650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).