5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide

C16H11Cl2N3O2S2 — CID 170103512

IUPAC5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnsc2S(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H11Cl2N3O2S2/c1-9-2-4-10(5-3-9)19-15(22)14-16(24-21-20-14)25(23)11-6-7-12(17)13(18)8-11/h2-8H,1H3,(H,19,22)
InChIKeyCFWBKBKVZRYHLG-UHFFFAOYSA-N
MW412.32 g/mol
LogP4.57
Rot. Bonds4

About 5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide

5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 170103512) has the molecular formula C16H11Cl2N3O2S2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide
PubChem CID170103512
Molecular FormulaC16H11Cl2N3O2S2
Molecular Weight412.32 g/mol
Exact Mass410.97
IUPAC Name5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnsc2S(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H11Cl2N3O2S2/c1-9-2-4-10(5-3-9)19-15(22)14-16(24-21-20-14)25(23)11-6-7-12(17)13(18)8-11/h2-8H,1H3,(H,19,22)
InChIKeyCFWBKBKVZRYHLG-UHFFFAOYSA-N
XLogP4.57
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide
CID 11861911
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide
CID 55042017
3-chloro-6-(ethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62165390
ethyl 3-amino-2-[4-[(4-methylphenyl)carbamoyl]thiadiazol-5-yl]-3-oxopropanoate
CID 4106646
1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 7184921
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
N-(4-methylphenyl)acetamide
CID 7684

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide (CID 170103512) is 5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide is Cc1ccc(NC(=O)c2nnsc2S(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is CFWBKBKVZRYHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S2/c1-9-2-4-10(5-3-9)19-15(22)14-16(24-21-20-14)25(23)11-6-7-12(17)13(18)8-11/h2-8H,1H3,(H,19,22).
What are the key properties of 5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide?
5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 412.32 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)sulfinyl-N-(4-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 170103512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).