(2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one

C26H22O4S — CID 134838647

IUPAC(2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one
SMILESO=C(c1cccc2ccccc12)[C@@H](CCS(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H22O4S/c27-26(24-17-9-11-20-10-7-8-16-23(20)24)25(30-21-12-3-1-4-13-21)18-19-31(28,29)22-14-5-2-6-15-22/h1-17,25H,18-19H2/t25-/m1/s1
InChIKeyXIUOWVRNVIPVSG-RUZDIDTESA-N
MW430.53 g/mol
LogP5.33
Rot. Bonds8

About (2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one

(2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one (PubChem CID 134838647) has the molecular formula C26H22O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is (2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one.

Molecular Properties

Compound Name(2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one
PubChem CID134838647
Molecular FormulaC26H22O4S
Molecular Weight430.53 g/mol
Exact Mass430.12
IUPAC Name(2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one
SMILESO=C(c1cccc2ccccc12)[C@@H](CCS(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H22O4S/c27-26(24-17-9-11-20-10-7-8-16-23(20)24)25(30-21-12-3-1-4-13-21)18-19-31(28,29)22-14-5-2-6-15-22/h1-17,25H,18-19H2/t25-/m1/s1
InChIKeyXIUOWVRNVIPVSG-RUZDIDTESA-N
XLogP5.33
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione
CID 134836560
2-naphthalen-1-yl-2-oxoethane-1,1-disulfonic acid
CID 87145288
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone
CID 174806443
3-(benzenesulfonamido)-2-phenoxypropanoic acid
CID 21178348
3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
CID 90524456
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
CID 47038001
3-phenylpropyl 4-(benzenesulfonyl)-2-methoxybutanoate
CID 91234404
dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate
CID 166440086
(2S)-4-(benzenesulfonyl)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylbutanamide
CID 11486607

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one?
The IUPAC name of (2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one (CID 134838647) is (2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one.
What is the SMILES notation for (2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one?
The canonical SMILES for (2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one is O=C(c1cccc2ccccc12)[C@@H](CCS(=O)(=O)c1ccccc1)Oc1ccccc1.
What is the InChIKey of (2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one?
The InChIKey is XIUOWVRNVIPVSG-RUZDIDTESA-N. The full InChI is InChI=1S/C26H22O4S/c27-26(24-17-9-11-20-10-7-8-16-23(20)24)25(30-21-12-3-1-4-13-21)18-19-31(28,29)22-14-5-2-6-15-22/h1-17,25H,18-19H2/t25-/m1/s1.
What are the key properties of (2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one?
(2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one has a molecular weight of 430.53 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenoxybutan-1-one is sourced from PubChem (CID 134838647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).