5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide

C17H14ClN3O3S2 — CID 170103475

IUPAC5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nnsc2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3O3S2/c1-11-2-4-12(5-3-11)10-19-16(22)15-17(25-21-20-15)26(23,24)14-8-6-13(18)7-9-14/h2-9H,10H2,1H3,(H,19,22)
InChIKeyRBXVMNNMKJPCEJ-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.26
Rot. Bonds5

About 5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide

5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide (PubChem CID 170103475) has the molecular formula C17H14ClN3O3S2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide
PubChem CID170103475
Molecular FormulaC17H14ClN3O3S2
Molecular Weight407.90 g/mol
Exact Mass407.02
IUPAC Name5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nnsc2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3O3S2/c1-11-2-4-12(5-3-11)10-19-16(22)15-17(25-21-20-15)26(23,24)14-8-6-13(18)7-9-14/h2-9H,10H2,1H3,(H,19,22)
InChIKeyRBXVMNNMKJPCEJ-UHFFFAOYSA-N
XLogP3.26
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
CID 170103491
5-(4-chlorophenyl)sulfonyl-N-(4-fluoro-3-methylphenyl)thiadiazole-4-carboxamide
CID 170103484
6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 52905736
5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
CID 170103543
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
1-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 22429126
N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124526
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide
CID 52905714
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 54687793

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide (CID 170103475) is 5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide is Cc1ccc(CNC(=O)c2nnsc2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide?
The InChIKey is RBXVMNNMKJPCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S2/c1-11-2-4-12(5-3-11)10-19-16(22)15-17(25-21-20-15)26(23,24)14-8-6-13(18)7-9-14/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide?
5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide has a molecular weight of 407.90 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 170103475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).