5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide

C18H21N5O3S — CID 1204217

IUPAC5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H21N5O3S/c1-3-23-18(20-21-22-23)15-9-10-16(26-2)17(13-15)27(24,25)19-12-11-14-7-5-4-6-8-14/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyWNEYEWWKSPGHCF-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.89
Rot. Bonds8

About 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide

5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 1204217) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide
PubChem CID1204217
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H21N5O3S/c1-3-23-18(20-21-22-23)15-9-10-16(26-2)17(13-15)27(24,25)19-12-11-14-7-5-4-6-8-14/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyWNEYEWWKSPGHCF-UHFFFAOYSA-N
XLogP1.89
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide (CID 1204217) is 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is WNEYEWWKSPGHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-3-23-18(20-21-22-23)15-9-10-16(26-2)17(13-15)27(24,25)19-12-11-14-7-5-4-6-8-14/h4-10,13,19H,3,11-12H2,1-2H3.
What are the key properties of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide?
5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 1204217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).