2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide

C20H25N5O4S — CID 650336

IUPAC2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCc2ccccc2C)c(OCC)cc1-n1cnnn1
InChIInChI=1S/C20H25N5O4S/c1-4-28-18-13-20(19(29-5-2)12-17(18)25-14-21-23-24-25)30(26,27)22-11-10-16-9-7-6-8-15(16)3/h6-9,12-14,22H,4-5,10-11H2,1-3H3
InChIKeyODYBWCSDOHUZFX-UHFFFAOYSA-N
MW431.52 g/mol
LogP2.29
Rot. Bonds10

About 2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide

2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 650336) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID650336
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Name2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCc2ccccc2C)c(OCC)cc1-n1cnnn1
InChIInChI=1S/C20H25N5O4S/c1-4-28-18-13-20(19(29-5-2)12-17(18)25-14-21-23-24-25)30(26,27)22-11-10-16-9-7-6-8-15(16)3/h6-9,12-14,22H,4-5,10-11H2,1-3H3
InChIKeyODYBWCSDOHUZFX-UHFFFAOYSA-N
XLogP2.29
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide (CID 650336) is 2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NCCc2ccccc2C)c(OCC)cc1-n1cnnn1.
What is the InChIKey of 2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is ODYBWCSDOHUZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-4-28-18-13-20(19(29-5-2)12-17(18)25-14-21-23-24-25)30(26,27)22-11-10-16-9-7-6-8-15(16)3/h6-9,12-14,22H,4-5,10-11H2,1-3H3.
What are the key properties of 2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 431.52 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 650336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).