4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide

C15H17NO3S2 — CID 8860403

IUPAC4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(SC)cc2)cc1
InChIInChI=1S/C15H17NO3S2/c1-3-19-13-6-10-15(11-7-13)21(17,18)16-12-4-8-14(20-2)9-5-12/h4-11,16H,3H2,1-2H3
InChIKeyRHWYLBXILHADAE-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.61
Rot. Bonds6

About 4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide

4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 8860403) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
PubChem CID8860403
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(SC)cc2)cc1
InChIInChI=1S/C15H17NO3S2/c1-3-19-13-6-10-15(11-7-13)21(17,18)16-12-4-8-14(20-2)9-5-12/h4-11,16H,3H2,1-2H3
InChIKeyRHWYLBXILHADAE-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide (CID 8860403) is 4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(SC)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is RHWYLBXILHADAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-3-19-13-6-10-15(11-7-13)21(17,18)16-12-4-8-14(20-2)9-5-12/h4-11,16H,3H2,1-2H3.
What are the key properties of 4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 8860403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).