N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide

C19H25NO7S2 — CID 4785615

IUPACN-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide
SMILESCCCN(S(=O)(=O)c1ccc(OCC)cc1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C19H25NO7S2/c1-5-13-20(28(21,22)17-10-7-15(8-11-17)27-6-2)29(23,24)19-14-16(25-3)9-12-18(19)26-4/h7-12,14H,5-6,13H2,1-4H3
InChIKeySFDNUICKQOYHQT-UHFFFAOYSA-N
MW443.54 g/mol
LogP2.89
Rot. Bonds10

About N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide

N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide (PubChem CID 4785615) has the molecular formula C19H25NO7S2 and a molecular weight of 443.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide
PubChem CID4785615
Molecular FormulaC19H25NO7S2
Molecular Weight443.54 g/mol
Exact Mass443.11
IUPAC NameN-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide
SMILESCCCN(S(=O)(=O)c1ccc(OCC)cc1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C19H25NO7S2/c1-5-13-20(28(21,22)17-10-7-15(8-11-17)27-6-2)29(23,24)19-14-16(25-3)9-12-18(19)26-4/h7-12,14H,5-6,13H2,1-4H3
InChIKeySFDNUICKQOYHQT-UHFFFAOYSA-N
XLogP2.89
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide (CID 4785615) is N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide is CCCN(S(=O)(=O)c1ccc(OCC)cc1)S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide?
The InChIKey is SFDNUICKQOYHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO7S2/c1-5-13-20(28(21,22)17-10-7-15(8-11-17)27-6-2)29(23,24)19-14-16(25-3)9-12-18(19)26-4/h7-12,14H,5-6,13H2,1-4H3.
What are the key properties of N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide?
N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide has a molecular weight of 443.54 g/mol, XLogP of 2.89, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide is sourced from PubChem (CID 4785615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).