3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide

C17H17ClFNO3S — CID 97105829

IUPAC3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@]1(O)CCc2ccccc2C1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFNO3S/c18-15-9-14(5-6-16(15)19)24(22,23)20-11-17(21)8-7-12-3-1-2-4-13(12)10-17/h1-6,9,20-21H,7-8,10-11H2/t17-/m0/s1
InChIKeyVVMZDOXSVDUIBF-KRWDZBQOSA-N
MW369.85 g/mol
LogP2.68
Rot. Bonds4

About 3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide

3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide (PubChem CID 97105829) has the molecular formula C17H17ClFNO3S and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide
PubChem CID97105829
Molecular FormulaC17H17ClFNO3S
Molecular Weight369.85 g/mol
Exact Mass369.06
IUPAC Name3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@]1(O)CCc2ccccc2C1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFNO3S/c18-15-9-14(5-6-16(15)19)24(22,23)20-11-17(21)8-7-12-3-1-2-4-13(12)10-17/h1-6,9,20-21H,7-8,10-11H2/t17-/m0/s1
InChIKeyVVMZDOXSVDUIBF-KRWDZBQOSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide 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

3-chloro-4-fluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide
CID 97105828
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 90581195
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]pyridine-3-sulfonamide
CID 90581181
3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121305
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 90581247
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide
CID 91631214
1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide
CID 71803605
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
4-(1,1-dioxothiazinan-2-yl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide
CID 97105851
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 91631210

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide (CID 97105829) is 3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@]1(O)CCc2ccccc2C1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide?
The InChIKey is VVMZDOXSVDUIBF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17ClFNO3S/c18-15-9-14(5-6-16(15)19)24(22,23)20-11-17(21)8-7-12-3-1-2-4-13(12)10-17/h1-6,9,20-21H,7-8,10-11H2/t17-/m0/s1.
What are the key properties of 3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide has a molecular weight of 369.85 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 97105829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).