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

C13H10Cl2N4O2S2 — CID 71452488

IUPAC5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1
InChIInChI=1S/C13H10Cl2N4O2S2/c14-10-2-1-9(8-19-6-5-16-18-19)11(7-10)17-23(20,21)13-4-3-12(15)22-13/h1-7,17H,8H2
InChIKeyMKCDZUGYALTJNA-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.50
Rot. Bonds5

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

5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 71452488) has the molecular formula C13H10Cl2N4O2S2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
PubChem CID71452488
Molecular FormulaC13H10Cl2N4O2S2
Molecular Weight389.29 g/mol
Exact Mass387.96
IUPAC Name5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1
InChIInChI=1S/C13H10Cl2N4O2S2/c14-10-2-1-9(8-19-6-5-16-18-19)11(7-10)17-23(20,21)13-4-3-12(15)22-13/h1-7,17H,8H2
InChIKeyMKCDZUGYALTJNA-UHFFFAOYSA-N
XLogP3.50
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide (CID 71452488) is 5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is MKCDZUGYALTJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O2S2/c14-10-2-1-9(8-19-6-5-16-18-19)11(7-10)17-23(20,21)13-4-3-12(15)22-13/h1-7,17H,8H2.
What are the key properties of 5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 389.29 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71452488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).