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

C15H9Cl2FN4O3S2 — CID 29369951

IUPAC2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)Nc2ccccc2F)c(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2FN4O3S2/c16-9-6-10(17)13(5-8(9)14(23)20-15-21-19-7-26-15)27(24,25)22-12-4-2-1-3-11(12)18/h1-7,22H,(H,20,21,23)
InChIKeyDSELRUIMBKRAIQ-UHFFFAOYSA-N
MW447.30 g/mol
LogP4.04
Rot. Bonds5

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

2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29369951) has the molecular formula C15H9Cl2FN4O3S2 and a molecular weight of 447.30 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29369951
Molecular FormulaC15H9Cl2FN4O3S2
Molecular Weight447.30 g/mol
Exact Mass445.95
IUPAC Name2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)Nc2ccccc2F)c(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2FN4O3S2/c16-9-6-10(17)13(5-8(9)14(23)20-15-21-19-7-26-15)27(24,25)22-12-4-2-1-3-11(12)18/h1-7,22H,(H,20,21,23)
InChIKeyDSELRUIMBKRAIQ-UHFFFAOYSA-N
XLogP4.04
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.30
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1087728
2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6469162
2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2336813
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate
CID 25040690
2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 2473332
acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide
CID 90484937
2-fluoro-4-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 103940013
3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid
CID 2380504
2-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2806491
2-chloro-N-[5-[(2,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100744633
N-[5-[(2-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100673658

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 29369951) is 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cc(S(=O)(=O)Nc2ccccc2F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is DSELRUIMBKRAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN4O3S2/c16-9-6-10(17)13(5-8(9)14(23)20-15-21-19-7-26-15)27(24,25)22-12-4-2-1-3-11(12)18/h1-7,22H,(H,20,21,23).
What are the key properties of 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 447.30 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29369951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).