N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide

C20H25N5O4S — CID 46786082

IUPACN-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide
SMILESCCCc1ccccc1OCCNS(=O)(=O)c1ccc(OCCn2cnnn2)cc1
InChIInChI=1S/C20H25N5O4S/c1-2-5-17-6-3-4-7-20(17)29-14-12-22-30(26,27)19-10-8-18(9-11-19)28-15-13-25-16-21-23-24-25/h3-4,6-11,16,22H,2,5,12-15H2,1H3
InChIKeyFXUBWLTXJFSMFH-UHFFFAOYSA-N
MW431.52 g/mol
LogP2.06
Rot. Bonds12

About N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide

N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide (PubChem CID 46786082) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide
PubChem CID46786082
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC NameN-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide
SMILESCCCc1ccccc1OCCNS(=O)(=O)c1ccc(OCCn2cnnn2)cc1
InChIInChI=1S/C20H25N5O4S/c1-2-5-17-6-3-4-7-20(17)29-14-12-22-30(26,27)19-10-8-18(9-11-19)28-15-13-25-16-21-23-24-25/h3-4,6-11,16,22H,2,5,12-15H2,1H3
InChIKeyFXUBWLTXJFSMFH-UHFFFAOYSA-N
XLogP2.06
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 52.06
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-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide
CID 171388697
4-[3-(2-propylphenoxy)propoxy]benzenesulfonamide
CID 69222529
7-oxabicyclo[2.2.1]hepta-1,3,5-triene;4-[3-(2-propylphenoxy)propoxy]benzenesulfonamide
CID 69222528
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
CID 106058279
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923
N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099946

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide?
The IUPAC name of N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide (CID 46786082) is N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide is CCCc1ccccc1OCCNS(=O)(=O)c1ccc(OCCn2cnnn2)cc1.
What is the InChIKey of N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide?
The InChIKey is FXUBWLTXJFSMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-2-5-17-6-3-4-7-20(17)29-14-12-22-30(26,27)19-10-8-18(9-11-19)28-15-13-25-16-21-23-24-25/h3-4,6-11,16,22H,2,5,12-15H2,1H3.
What are the key properties of N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide?
N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide has a molecular weight of 431.52 g/mol, XLogP of 2.06, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 46786082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).