1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide

C17H18ClNO3S — CID 95983164

IUPAC1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C17H18ClNO3S/c18-16-8-4-2-6-14(16)11-23(21,22)19-12-17(20)10-9-13-5-1-3-7-15(13)17/h1-8,19-20H,9-12H2/t17-/m1/s1
InChIKeyVFUUWAOOMFSKMX-QGZVFWFLSA-N
MW351.86 g/mol
LogP2.59
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide

1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide (PubChem CID 95983164) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide
PubChem CID95983164
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C17H18ClNO3S/c18-16-8-4-2-6-14(16)11-23(21,22)19-12-17(20)10-9-13-5-1-3-7-15(13)17/h1-8,19-20H,9-12H2/t17-/m1/s1
InChIKeyVFUUWAOOMFSKMX-QGZVFWFLSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]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-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide
CID 95983148
2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
CID 71782180
N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
CID 71782201
5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60799204
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide
CID 90499106
methyl 4-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methylsulfamoyl]benzoate
CID 95986142
3-acetyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
CID 90499105
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzenesulfonamide
CID 90499095
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
CID 71782153
1-[[2-(benzenesulfonyl)ethylamino]methyl]-2,3-dihydroinden-1-ol
CID 167819066
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 71782189
1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 62772754

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide (CID 95983164) is 1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NC[C@]1(O)CCc2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide?
The InChIKey is VFUUWAOOMFSKMX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c18-16-8-4-2-6-14(16)11-23(21,22)19-12-17(20)10-9-13-5-1-3-7-15(13)17/h1-8,19-20H,9-12H2/t17-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide has a molecular weight of 351.86 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95983164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).