1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide

C16H18ClNO3S — CID 97014801

IUPAC1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C16H18ClNO3S/c17-15-9-5-4-8-14(15)12-22(20,21)18-11-10-16(19)13-6-2-1-3-7-13/h1-9,16,18-19H,10-12H2/t16-/m0/s1
InChIKeyTVVNEGWXQRDPLV-INIZCTEOSA-N
MW339.84 g/mol
LogP2.88
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide (PubChem CID 97014801) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
PubChem CID97014801
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C16H18ClNO3S/c17-15-9-5-4-8-14(15)12-22(20,21)18-11-10-16(19)13-6-2-1-3-7-13/h1-9,16,18-19H,10-12H2/t16-/m0/s1
InChIKeyTVVNEGWXQRDPLV-INIZCTEOSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014800
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
CID 111977012
1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523851
1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97331122
N-(2-amino-2-phenylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 84591502
N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 4317850
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
1-(2-chlorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824558

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide (CID 97014801) is 1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCC[C@H](O)c1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide?
The InChIKey is TVVNEGWXQRDPLV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c17-15-9-5-4-8-14(15)12-22(20,21)18-11-10-16(19)13-6-2-1-3-7-13/h1-9,16,18-19H,10-12H2/t16-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 2.88, 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-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide is sourced from PubChem (CID 97014801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).