6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide

C18H21NO4S — CID 135365962

IUPAC6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide
SMILESO=C(CCCCCS(=O)(=O)c1ccccc1)Nc1ccccc1O
InChIInChI=1S/C18H21NO4S/c20-17-12-7-6-11-16(17)19-18(21)13-5-2-8-14-24(22,23)15-9-3-1-4-10-15/h1,3-4,6-7,9-12,20H,2,5,8,13-14H2,(H,19,21)
InChIKeyPMTCNPVQLOBDRO-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.37
Rot. Bonds8

About 6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide

6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide (PubChem CID 135365962) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide
PubChem CID135365962
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide
SMILESO=C(CCCCCS(=O)(=O)c1ccccc1)Nc1ccccc1O
InChIInChI=1S/C18H21NO4S/c20-17-12-7-6-11-16(17)19-18(21)13-5-2-8-14-24(22,23)15-9-3-1-4-10-15/h1,3-4,6-7,9-12,20H,2,5,8,13-14H2,(H,19,21)
InChIKeyPMTCNPVQLOBDRO-UHFFFAOYSA-N
XLogP3.37
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide
CID 41273173
7-(benzenesulfonyl)heptanoic acid
CID 70396928
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide
CID 41273162
N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
N-(2-hydroxyphenyl)-6-[methyl(phenyl)phosphoryl]hexanamide
CID 118341051
7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride
CID 119753331
6-(benzenesulfonyl)hexane-1-sulfonic acid
CID 123592456
4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
CID 16804021
4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide
CID 41273157

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide?
The IUPAC name of 6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide (CID 135365962) is 6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide.
What is the SMILES notation for 6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide?
The canonical SMILES for 6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide is O=C(CCCCCS(=O)(=O)c1ccccc1)Nc1ccccc1O.
What is the InChIKey of 6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide?
The InChIKey is PMTCNPVQLOBDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c20-17-12-7-6-11-16(17)19-18(21)13-5-2-8-14-24(22,23)15-9-3-1-4-10-15/h1,3-4,6-7,9-12,20H,2,5,8,13-14H2,(H,19,21).
What are the key properties of 6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide?
6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide has a molecular weight of 347.44 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide is sourced from PubChem (CID 135365962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).