3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide

C17H15N5O2S2 — CID 56941162

IUPAC3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
SMILESCc1ccc2sc(S(=O)(=O)Nc3cccc(-c4nn[nH]n4)c3)c(C)c2c1
InChIInChI=1S/C17H15N5O2S2/c1-10-6-7-15-14(8-10)11(2)17(25-15)26(23,24)20-13-5-3-4-12(9-13)16-18-21-22-19-16/h3-9,20H,1-2H3,(H,18,19,21,22)
InChIKeyXERICNKIDOUEQL-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.50
Rot. Bonds4

About 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide

3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide (PubChem CID 56941162) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
PubChem CID56941162
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC Name3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
SMILESCc1ccc2sc(S(=O)(=O)Nc3cccc(-c4nn[nH]n4)c3)c(C)c2c1
InChIInChI=1S/C17H15N5O2S2/c1-10-6-7-15-14(8-10)11(2)17(25-15)26(23,24)20-13-5-3-4-12(9-13)16-18-21-22-19-16/h3-9,20H,1-2H3,(H,18,19,21,22)
InChIKeyXERICNKIDOUEQL-UHFFFAOYSA-N
XLogP3.50
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 56942318
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
CID 123257931
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide
CID 2824261
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720322
N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide
CID 143182513
4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
CID 63325066
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 175177926
3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide
CID 142710697

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide (CID 56941162) is 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide is Cc1ccc2sc(S(=O)(=O)Nc3cccc(-c4nn[nH]n4)c3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide?
The InChIKey is XERICNKIDOUEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c1-10-6-7-15-14(8-10)11(2)17(25-15)26(23,24)20-13-5-3-4-12(9-13)16-18-21-22-19-16/h3-9,20H,1-2H3,(H,18,19,21,22).
What are the key properties of 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide?
3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide has a molecular weight of 385.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 56941162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).