4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide

C16H17N5O2S — CID 25419462

IUPAC4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C16H17N5O2S/c1-3-12-7-9-15(10-8-12)24(22,23)18-14-6-4-5-13(11-14)16-17-19-20-21(16)2/h4-11,18H,3H2,1-2H3
InChIKeyHWYSCMFERJBASG-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.24
Rot. Bonds5

About 4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide

4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 25419462) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID25419462
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C16H17N5O2S/c1-3-12-7-9-15(10-8-12)24(22,23)18-14-6-4-5-13(11-14)16-17-19-20-21(16)2/h4-11,18H,3H2,1-2H3
InChIKeyHWYSCMFERJBASG-UHFFFAOYSA-N
XLogP2.24
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide
CID 25325851
4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 30868046
1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide
CID 83092605
2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419429
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122
1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 24604699
2-(4-chlorophenyl)sulfonyl-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41360617
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 55601078
1-hydroxy-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 110907120
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide (CID 25419462) is 4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1.
What is the InChIKey of 4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is HWYSCMFERJBASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-3-12-7-9-15(10-8-12)24(22,23)18-14-6-4-5-13(11-14)16-17-19-20-21(16)2/h4-11,18H,3H2,1-2H3.
What are the key properties of 4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25419462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).