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

C17H15N5O2S2 — CID 123257931

IUPACN,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)c2cccc(-c3nn[nH]n3)c2)sc2ccccc12
InChIInChI=1S/C17H15N5O2S2/c1-11-14-8-3-4-9-15(14)25-17(11)26(23,24)22(2)13-7-5-6-12(10-13)16-18-20-21-19-16/h3-10H,1-2H3,(H,18,19,20,21)
InChIKeyVZFJRTUDIKXIGR-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.21
Rot. Bonds4

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

N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide (PubChem CID 123257931) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
PubChem CID123257931
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC NameN,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)c2cccc(-c3nn[nH]n3)c2)sc2ccccc12
InChIInChI=1S/C17H15N5O2S2/c1-11-14-8-3-4-9-15(14)25-17(11)26(23,24)22(2)13-7-5-6-12(10-13)16-18-20-21-19-16/h3-10H,1-2H3,(H,18,19,20,21)
InChIKeyVZFJRTUDIKXIGR-UHFFFAOYSA-N
XLogP3.21
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide?
The IUPAC name of N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide (CID 123257931) is N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide is Cc1c(S(=O)(=O)N(C)c2cccc(-c3nn[nH]n3)c2)sc2ccccc12.
What is the InChIKey of N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide?
The InChIKey is VZFJRTUDIKXIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c1-11-14-8-3-4-9-15(14)25-17(11)26(23,24)22(2)13-7-5-6-12(10-13)16-18-20-21-19-16/h3-10H,1-2H3,(H,18,19,20,21).
What are the key properties of N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide?
N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide has a molecular weight of 385.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 123257931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).