N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide

C16H17ClFNO4S — CID 91624402

IUPACN-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCC(O)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClFNO4S/c1-23-15-6-5-13(18)10-16(15)24(21,22)19-8-7-14(20)11-3-2-4-12(17)9-11/h2-6,9-10,14,19-20H,7-8H2,1H3
InChIKeyAIBRPLRRHQDKCY-UHFFFAOYSA-N
MW373.83 g/mol
LogP2.89
Rot. Bonds7

About N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide

N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 91624402) has the molecular formula C16H17ClFNO4S and a molecular weight of 373.83 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID91624402
Molecular FormulaC16H17ClFNO4S
Molecular Weight373.83 g/mol
Exact Mass373.06
IUPAC NameN-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCC(O)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClFNO4S/c1-23-15-6-5-13(18)10-16(15)24(21,22)19-8-7-14(20)11-3-2-4-12(17)9-11/h2-6,9-10,14,19-20H,7-8H2,1H3
InChIKeyAIBRPLRRHQDKCY-UHFFFAOYSA-N
XLogP2.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.83
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide 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-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110665818
5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113103026
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 100697740
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 112506788
5-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methoxybenzenesulfonamide
CID 95367250
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524514
N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 121112300

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide (CID 91624402) is N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCCC(O)c1cccc(Cl)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is AIBRPLRRHQDKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO4S/c1-23-15-6-5-13(18)10-16(15)24(21,22)19-8-7-14(20)11-3-2-4-12(17)9-11/h2-6,9-10,14,19-20H,7-8H2,1H3.
What are the key properties of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide?
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 373.83 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 91624402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).