1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide

C18H20ClNO3S — CID 90535524

IUPAC1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C18H20ClNO3S/c19-17-8-4-5-14(11-17)12-24(22,23)20-13-18(21,16-9-10-16)15-6-2-1-3-7-15/h1-8,11,16,20-21H,9-10,12-13H2
InChIKeyNSARMMLYBZATCQ-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.06
Rot. Bonds7

About 1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide

1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide (PubChem CID 90535524) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide
PubChem CID90535524
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C18H20ClNO3S/c19-17-8-4-5-14(11-17)12-24(22,23)20-13-18(21,16-9-10-16)15-6-2-1-3-7-15/h1-8,11,16,20-21H,9-10,12-13H2
InChIKeyNSARMMLYBZATCQ-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 71788801
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90535501
2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 90535544
1-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984177
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methylbenzenesulfonamide
CID 71788797
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-methylbenzenesulfonamide
CID 95379479
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide
CID 90535526
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497099
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 90535542
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide
CID 122243861
1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide
CID 90499382

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide (CID 90535524) is 1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCC(O)(c1ccccc1)C1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide?
The InChIKey is NSARMMLYBZATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c19-17-8-4-5-14(11-17)12-24(22,23)20-13-18(21,16-9-10-16)15-6-2-1-3-7-15/h1-8,11,16,20-21H,9-10,12-13H2.
What are the key properties of 1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide?
1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide has a molecular weight of 365.88 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 90535524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).