4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide

C15H17NO3S2 — CID 61031097

IUPAC4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO3S2/c1-2-11-16-21(18,19)15-9-7-14(8-10-15)20-13-5-3-12(17)4-6-13/h3-10,16-17H,2,11H2,1H3
InChIKeyPUGRTVUHNDCTCR-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.23
Rot. Bonds6

About 4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide

4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide (PubChem CID 61031097) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide
PubChem CID61031097
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO3S2/c1-2-11-16-21(18,19)15-9-7-14(8-10-15)20-13-5-3-12(17)4-6-13/h3-10,16-17H,2,11H2,1H3
InChIKeyPUGRTVUHNDCTCR-UHFFFAOYSA-N
XLogP3.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide
CID 61032104
N-ethyl-4-(3-hydroxyphenyl)sulfanylbenzenesulfonamide
CID 104591010
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-(3-hydroxyprop-1-ynyl)-N-propylbenzenesulfonamide
CID 60824098
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide
CID 54911444
CID 57257139
CID 57257139
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 114101242
4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106037908

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide (CID 61031097) is 4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(Sc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide?
The InChIKey is PUGRTVUHNDCTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-2-11-16-21(18,19)15-9-7-14(8-10-15)20-13-5-3-12(17)4-6-13/h3-10,16-17H,2,11H2,1H3.
What are the key properties of 4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide?
4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.23, 6 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-propylbenzenesulfonamide is sourced from PubChem (CID 61031097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).