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

C17H17ClFNO3S — CID 97105828

IUPAC3-chloro-4-fluoro-N-[[(2R)-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-/m1/s1
InChIKeyVVMZDOXSVDUIBF-QGZVFWFLSA-N
MW369.85 g/mol
LogP2.68
Rot. Bonds4

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

3-chloro-4-fluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide (PubChem CID 97105828) has the molecular formula C17H17ClFNO3S and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide
PubChem CID97105828
Molecular FormulaC17H17ClFNO3S
Molecular Weight369.85 g/mol
Exact Mass369.06
IUPAC Name3-chloro-4-fluoro-N-[[(2R)-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-/m1/s1
InChIKeyVVMZDOXSVDUIBF-QGZVFWFLSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide (CID 97105828) is 3-chloro-4-fluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[(2R)-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-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide?
The InChIKey is VVMZDOXSVDUIBF-QGZVFWFLSA-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-/m1/s1.
What are the key properties of 3-chloro-4-fluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[[(2R)-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-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 97105828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).