1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide

C18H20ClNO3S — CID 95379511

IUPAC1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NC[C@@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C18H20ClNO3S/c19-17-9-5-4-6-14(17)12-24(22,23)20-13-18(21,16-10-11-16)15-7-2-1-3-8-15/h1-9,16,20-21H,10-13H2/t18-/m1/s1
InChIKeyPUQRQFTZECLTBO-GOSISDBHSA-N
MW365.88 g/mol
LogP3.06
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide (PubChem CID 95379511) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide
PubChem CID95379511
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NC[C@@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C18H20ClNO3S/c19-17-9-5-4-6-14(17)12-24(22,23)20-13-18(21,16-10-11-16)15-7-2-1-3-8-15/h1-9,16,20-21H,10-13H2/t18-/m1/s1
InChIKeyPUQRQFTZECLTBO-GOSISDBHSA-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-(2-chlorophenyl)-N-[(2S)-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide (CID 95379511) is 1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NC[C@@](O)(c1ccccc1)C1CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide?
The InChIKey is PUQRQFTZECLTBO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c19-17-9-5-4-6-14(17)12-24(22,23)20-13-18(21,16-10-11-16)15-7-2-1-3-8-15/h1-9,16,20-21H,10-13H2/t18-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(2S)-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-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]methanesulfonamide is sourced from PubChem (CID 95379511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).