3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide

C17H20ClNO4S — CID 122243134

IUPAC3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide
SMILESCOCC(O)(CNS(=O)(=O)c1cccc(Cl)c1C)c1ccccc1
InChIInChI=1S/C17H20ClNO4S/c1-13-15(18)9-6-10-16(13)24(21,22)19-11-17(20,12-23-2)14-7-4-3-5-8-14/h3-10,19-20H,11-12H2,1-2H3
InChIKeyDCDHTNOQLFDPRA-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.46
Rot. Bonds7

About 3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide

3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide (PubChem CID 122243134) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide
PubChem CID122243134
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC Name3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide
SMILESCOCC(O)(CNS(=O)(=O)c1cccc(Cl)c1C)c1ccccc1
InChIInChI=1S/C17H20ClNO4S/c1-13-15(18)9-6-10-16(13)24(21,22)19-11-17(20,12-23-2)14-7-4-3-5-8-14/h3-10,19-20H,11-12H2,1-2H3
InChIKeyDCDHTNOQLFDPRA-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide 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

ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol
CID 103466071
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447
3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
CID 124727367
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 103918364
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536
4-chloro-N-(2,3-dihydroxy-2-phenylpropyl)-3-methylbenzenesulfonamide
CID 14678261
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
3-chloro-N-[3-(2-chlorophenyl)prop-2-ynyl]-2-methylbenzenesulfonamide
CID 90553007
2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 154576267
ethyl (2R)-3-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoate
CID 97028994

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide (CID 122243134) is 3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide is COCC(O)(CNS(=O)(=O)c1cccc(Cl)c1C)c1ccccc1.
What is the InChIKey of 3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide?
The InChIKey is DCDHTNOQLFDPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-13-15(18)9-6-10-16(13)24(21,22)19-11-17(20,12-23-2)14-7-4-3-5-8-14/h3-10,19-20H,11-12H2,1-2H3.
What are the key properties of 3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide?
3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 122243134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).