N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide

C14H13F2N5O2S2 — CID 16825891

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H13F2N5O2S2/c1-2-10-4-6-14(24-10)25(22,23)17-8-13-18-19-20-21(13)9-3-5-11(15)12(16)7-9/h3-7,17H,2,8H2,1H3
InChIKeyHTLOFEAUNBIBLQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.04
Rot. Bonds6

About N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 16825891) has the molecular formula C14H13F2N5O2S2 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide
PubChem CID16825891
Molecular FormulaC14H13F2N5O2S2
Molecular Weight385.42 g/mol
Exact Mass385.05
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H13F2N5O2S2/c1-2-10-4-6-14(24-10)25(22,23)17-8-13-18-19-20-21(13)9-3-5-11(15)12(16)7-9/h3-7,17H,2,8H2,1H3
InChIKeyHTLOFEAUNBIBLQ-UHFFFAOYSA-N
XLogP2.04
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide (CID 16825891) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)c(F)c2)s1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is HTLOFEAUNBIBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O2S2/c1-2-10-4-6-14(24-10)25(22,23)17-8-13-18-19-20-21(13)9-3-5-11(15)12(16)7-9/h3-7,17H,2,8H2,1H3.
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 385.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 16825891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).