3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide

C17H19NO4S — CID 78887849

IUPAC3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO4S/c1-13(19)11-18-17(20)15-7-5-6-14(10-15)12-23(21,22)16-8-3-2-4-9-16/h2-10,13,19H,11-12H2,1H3,(H,18,20)
InChIKeyFLHVIKQUXQJTOX-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.77
Rot. Bonds6

About 3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide

3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide (PubChem CID 78887849) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
PubChem CID78887849
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO4S/c1-13(19)11-18-17(20)15-7-5-6-14(10-15)12-23(21,22)16-8-3-2-4-9-16/h2-10,13,19H,11-12H2,1H3,(H,18,20)
InChIKeyFLHVIKQUXQJTOX-UHFFFAOYSA-N
XLogP1.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 55786930
N-(3-amino-2-methylpropyl)-3-benzylsulfonylbenzamide
CID 119997939
3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 55776645
2-[[3-(benzenesulfonylmethyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198774
3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide
CID 55773574
3-[2-[3-(benzenesulfonylmethylamino)phenyl]ethyl]-N-(2-methylpropyl)benzamide
CID 123375699
2-[[3-(benzenesulfonylmethyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193442
N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide
CID 55777909
N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide
CID 119617679
2-[[3-(benzenesulfonylmethyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119200849

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide (CID 78887849) is 3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide is CC(O)CNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide?
The InChIKey is FLHVIKQUXQJTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13(19)11-18-17(20)15-7-5-6-14(10-15)12-23(21,22)16-8-3-2-4-9-16/h2-10,13,19H,11-12H2,1H3,(H,18,20).
What are the key properties of 3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide?
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide has a molecular weight of 333.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide is sourced from PubChem (CID 78887849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).