N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide

C17H13ClN4O2S2 — CID 71456008

IUPACN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12
InChIInChI=1S/C17H13ClN4O2S2/c18-13-6-5-12(10-22-8-7-19-21-22)15(9-13)20-26(23,24)17-11-25-16-4-2-1-3-14(16)17/h1-9,11,20H,10H2
InChIKeyYOFIQLQDWMBWFW-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.00
Rot. Bonds5

About N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide

N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide (PubChem CID 71456008) has the molecular formula C17H13ClN4O2S2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide
PubChem CID71456008
Molecular FormulaC17H13ClN4O2S2
Molecular Weight404.90 g/mol
Exact Mass404.02
IUPAC NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12
InChIInChI=1S/C17H13ClN4O2S2/c18-13-6-5-12(10-22-8-7-19-21-22)15(9-13)20-26(23,24)17-11-25-16-4-2-1-3-14(16)17/h1-9,11,20H,10H2
InChIKeyYOFIQLQDWMBWFW-UHFFFAOYSA-N
XLogP4.00
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 71450657
5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 71452488
5-chloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 71454248
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71463165
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide
CID 71214753
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide
CID 143400098
Benzo[b]thiophene-2-sulfonamide,5-chloro-n-[5-chloro-2-(1h-1,2,3-triazol-1-ylmethyl)phenyl]-3-methyl-
CID 76851740

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide?
The IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide (CID 71456008) is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12.
What is the InChIKey of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide?
The InChIKey is YOFIQLQDWMBWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2S2/c18-13-6-5-12(10-22-8-7-19-21-22)15(9-13)20-26(23,24)17-11-25-16-4-2-1-3-14(16)17/h1-9,11,20H,10H2.
What are the key properties of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide?
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide has a molecular weight of 404.90 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 71456008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).