4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide

C17H19N5O4S — CID 30868046

IUPAC4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C17H19N5O4S/c1-22-17(18-20-21-22)13-4-3-5-14(12-13)19-27(23,24)16-8-6-15(7-9-16)26-11-10-25-2/h3-9,12,19H,10-11H2,1-2H3
InChIKeyLYZDGTZDIOZLHP-UHFFFAOYSA-N
MW389.44 g/mol
LogP1.70
Rot. Bonds8

About 4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide

4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 30868046) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID30868046
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C17H19N5O4S/c1-22-17(18-20-21-22)13-4-3-5-14(12-13)19-27(23,24)16-8-6-15(7-9-16)26-11-10-25-2/h3-9,12,19H,10-11H2,1-2H3
InChIKeyLYZDGTZDIOZLHP-UHFFFAOYSA-N
XLogP1.70
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419462
N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide
CID 25325851
1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide
CID 83092605
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419429
methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate
CID 47062658
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417448
N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline
CID 116500940
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 42932560
2-(4-chlorophenyl)sulfonyl-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41360617

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide (CID 30868046) is 4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide is COCCOc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is LYZDGTZDIOZLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-22-17(18-20-21-22)13-4-3-5-14(12-13)19-27(23,24)16-8-6-15(7-9-16)26-11-10-25-2/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 389.44 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 30868046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).