N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide

C17H19N5O3S — CID 658808

IUPACN-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H19N5O3S/c1-3-22-17(19-20-21-22)14-9-10-15(25-2)16(11-14)26(23,24)18-12-13-7-5-4-6-8-13/h4-11,18H,3,12H2,1-2H3
InChIKeyAAZZVKZTHLKMCP-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.85
Rot. Bonds7

About N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide

N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 658808) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
PubChem CID658808
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H19N5O3S/c1-3-22-17(19-20-21-22)14-9-10-15(25-2)16(11-14)26(23,24)18-12-13-7-5-4-6-8-13/h4-11,18H,3,12H2,1-2H3
InChIKeyAAZZVKZTHLKMCP-UHFFFAOYSA-N
XLogP1.85
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-((5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxyphenyl)sulfonyl)piperidine
CID 658999
5-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-tetrazole
CID 892565
3-(4-methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazol-5-amine
CID 895491
N-(3,4-dimethylphenyl)-5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxybenzenesulfonamide
CID 1204212
2-methoxy-N-(4-methoxyphenyl)-5-(1-methyl-1H-tetraazol-5-yl)benzenesulfonamide
CID 1204214
5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1204217
5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 1236748
N-benzyl-2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)benzenesulfonamide
CID 1547171
5-(1-isopropyl-1H-tetrazol-5-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 1536257
N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)benzenesulfonamide
CID 1316538
2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 1345568
N-(4-methoxybenzyl)-N-[3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-yl]amine
CID 15991329

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide (CID 658808) is N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is AAZZVKZTHLKMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-3-22-17(19-20-21-22)14-9-10-15(25-2)16(11-14)26(23,24)18-12-13-7-5-4-6-8-13/h4-11,18H,3,12H2,1-2H3.
What are the key properties of N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 658808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).