1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide

C18H22ClNO4S — CID 90498317

IUPAC1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide
SMILESCOc1ccc(CC(C)(O)CNS(=O)(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO4S/c1-18(21,11-14-6-8-17(24-2)9-7-14)13-20-25(22,23)12-15-4-3-5-16(19)10-15/h3-10,20-21H,11-13H2,1-2H3
InChIKeySIVZDIUEXYOHPU-UHFFFAOYSA-N
MW383.90 g/mol
LogP2.76
Rot. Bonds8

About 1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide

1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide (PubChem CID 90498317) has the molecular formula C18H22ClNO4S and a molecular weight of 383.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide
PubChem CID90498317
Molecular FormulaC18H22ClNO4S
Molecular Weight383.90 g/mol
Exact Mass383.10
IUPAC Name1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide
SMILESCOc1ccc(CC(C)(O)CNS(=O)(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO4S/c1-18(21,11-14-6-8-17(24-2)9-7-14)13-20-25(22,23)12-15-4-3-5-16(19)10-15/h3-10,20-21H,11-13H2,1-2H3
InChIKeySIVZDIUEXYOHPU-UHFFFAOYSA-N
XLogP2.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984177
1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide
CID 90605152
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71782074
4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 95983001
1-(3-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
CID 56724259
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-nitrobenzenesulfonamide
CID 90498311
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
CID 122301719
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide
CID 90535524

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide (CID 90498317) is 1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide is COc1ccc(CC(C)(O)CNS(=O)(=O)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide?
The InChIKey is SIVZDIUEXYOHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4S/c1-18(21,11-14-6-8-17(24-2)9-7-14)13-20-25(22,23)12-15-4-3-5-16(19)10-15/h3-10,20-21H,11-13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide has a molecular weight of 383.90 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide is sourced from PubChem (CID 90498317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).