5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide

C13H9Cl3N4O2S2 — CID 22772042

IUPAC5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(Cl)s1
InChIInChI=1S/C13H9Cl3N4O2S2/c14-9-2-1-8(10(15)5-9)6-20-7-17-13(18-20)19-24(21,22)12-4-3-11(16)23-12/h1-5,7H,6H2,(H,18,19)
InChIKeyGDTPMXFMXVQAGC-UHFFFAOYSA-N
MW423.73 g/mol
LogP4.15
Rot. Bonds5

About 5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide

5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide (PubChem CID 22772042) has the molecular formula C13H9Cl3N4O2S2 and a molecular weight of 423.73 g/mol. Its IUPAC name is 5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
PubChem CID22772042
Molecular FormulaC13H9Cl3N4O2S2
Molecular Weight423.73 g/mol
Exact Mass421.92
IUPAC Name5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(Cl)s1
InChIInChI=1S/C13H9Cl3N4O2S2/c14-9-2-1-8(10(15)5-9)6-20-7-17-13(18-20)19-24(21,22)12-4-3-11(16)23-12/h1-5,7H,6H2,(H,18,19)
InChIKeyGDTPMXFMXVQAGC-UHFFFAOYSA-N
XLogP4.15
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.73
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 113098447
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22771873
2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772197
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57171958
2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206532
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2,4-dimethoxybenzenesulfonamide
CID 22772152
4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 4770418
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 22206944
4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475940
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19537970
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide (CID 22772042) is 5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is GDTPMXFMXVQAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N4O2S2/c14-9-2-1-8(10(15)5-9)6-20-7-17-13(18-20)19-24(21,22)12-4-3-11(16)23-12/h1-5,7H,6H2,(H,18,19).
What are the key properties of 5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 423.73 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22772042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).