4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide

C15H17NO3S2 — CID 61032104

IUPAC4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO3S2/c1-11(2)16-21(18,19)15-9-7-14(8-10-15)20-13-5-3-12(17)4-6-13/h3-11,16-17H,1-2H3
InChIKeySTZUWFLDZJFNAU-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.23
Rot. Bonds5

About 4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide

4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 61032104) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide
PubChem CID61032104
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO3S2/c1-11(2)16-21(18,19)15-9-7-14(8-10-15)20-13-5-3-12(17)4-6-13/h3-11,16-17H,1-2H3
InChIKeySTZUWFLDZJFNAU-UHFFFAOYSA-N
XLogP3.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide
CID 61031097
2-methyl-3-[4-(propan-2-ylsulfamoyl)phenyl]sulfanylpropanoic acid
CID 64914348
4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958107
4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54955559
methyl 2-methyl-3-[4-(propan-2-ylsulfamoyl)phenyl]sulfanylpropanoate
CID 66113345
4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
CID 82164855
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61481092
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-propanoyl-N-propan-2-ylbenzenesulfonamide
CID 70931286
3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide
CID 138059785

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide (CID 61032104) is 4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(Sc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is STZUWFLDZJFNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-11(2)16-21(18,19)15-9-7-14(8-10-15)20-13-5-3-12(17)4-6-13/h3-11,16-17H,1-2H3.
What are the key properties of 4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide?
4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61032104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).