4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide

C13H9Cl3N4O2S2 — CID 71450657

IUPAC4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C13H9Cl3N4O2S2/c14-9-2-1-8(7-20-4-3-17-19-20)11(5-9)18-24(21,22)12-6-10(15)13(16)23-12/h1-6,18H,7H2
InChIKeyHZPZDNAFDLIEJH-UHFFFAOYSA-N
MW423.73 g/mol
LogP4.15
Rot. Bonds5

About 4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide

4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 71450657) has the molecular formula C13H9Cl3N4O2S2 and a molecular weight of 423.73 g/mol. Its IUPAC name is 4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
PubChem CID71450657
Molecular FormulaC13H9Cl3N4O2S2
Molecular Weight423.73 g/mol
Exact Mass421.92
IUPAC Name4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C13H9Cl3N4O2S2/c14-9-2-1-8(7-20-4-3-17-19-20)11(5-9)18-24(21,22)12-6-10(15)13(16)23-12/h1-6,18H,7H2
InChIKeyHZPZDNAFDLIEJH-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

3,4-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 15985912
3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71452487
5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 71452488
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide
CID 71454247
5-chloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 71454248
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide
CID 71456008
4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71461439
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71463165
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide
CID 71214748
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide
CID 71214753
Benzenesulfonamide,3-amino-n-[5-chloro-2-(1h-1,2,3-triazol-1-ylmethyl)phenyl]-
CID 76851736
4,5-dichloro-N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 144081498

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide (CID 71450657) is 4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is HZPZDNAFDLIEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N4O2S2/c14-9-2-1-8(7-20-4-3-17-19-20)11(5-9)18-24(21,22)12-6-10(15)13(16)23-12/h1-6,18H,7H2.
What are the key properties of 4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]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 4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71450657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).