N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide

C17H18ClNO4S — CID 75430606

IUPACN-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(S(C)(=O)=O)cc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4S/c1-11(16(20)12-3-7-14(18)8-4-12)19-17(21)13-5-9-15(10-6-13)24(2,22)23/h3-11,16,20H,1-2H3,(H,19,21)
InChIKeyFFJBTBXJWHIMAW-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.60
Rot. Bonds5

About N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide

N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide (PubChem CID 75430606) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide
PubChem CID75430606
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC NameN-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(S(C)(=O)=O)cc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4S/c1-11(16(20)12-3-7-14(18)8-4-12)19-17(21)13-5-9-15(10-6-13)24(2,22)23/h3-11,16,20H,1-2H3,(H,19,21)
InChIKeyFFJBTBXJWHIMAW-UHFFFAOYSA-N
XLogP2.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
4-chloro-N-propan-2-ylbenzamide
CID 24045
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 46828347
4-chloro-N-[(2S)-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 34963656
4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 154861680
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 8751478
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide (CID 75430606) is N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide is CC(NC(=O)c1ccc(S(C)(=O)=O)cc1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide?
The InChIKey is FFJBTBXJWHIMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-11(16(20)12-3-7-14(18)8-4-12)19-17(21)13-5-9-15(10-6-13)24(2,22)23/h3-11,16,20H,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide?
N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide has a molecular weight of 367.85 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 75430606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).