N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide

C14H15NO3S2 — CID 104591010

IUPACN-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Sc2cccc(O)c2)cc1
InChIInChI=1S/C14H15NO3S2/c1-2-15-20(17,18)14-8-6-12(7-9-14)19-13-5-3-4-11(16)10-13/h3-10,15-16H,2H2,1H3
InChIKeyNMNREDNTCNGBBN-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.84
Rot. Bonds5

About N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide

N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide (PubChem CID 104591010) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide
PubChem CID104591010
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC NameN-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Sc2cccc(O)c2)cc1
InChIInChI=1S/C14H15NO3S2/c1-2-15-20(17,18)14-8-6-12(7-9-14)19-13-5-3-4-11(16)10-13/h3-10,15-16H,2H2,1H3
InChIKeyNMNREDNTCNGBBN-UHFFFAOYSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide (CID 104591010) is N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(Sc2cccc(O)c2)cc1.
What is the InChIKey of N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide?
The InChIKey is NMNREDNTCNGBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-2-15-20(17,18)14-8-6-12(7-9-14)19-13-5-3-4-11(16)10-13/h3-10,15-16H,2H2,1H3.
What are the key properties of N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide?
N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide has a molecular weight of 309.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide is sourced from PubChem (CID 104591010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).