CID 134852077

C16H14NO4S — CID 134852077

IUPAC—
SMILESCOc1ccc(C2=CC(c3ccccc3)S(=O)(=O)[N]O2)cc1
InChIInChI=1S/C16H14NO4S/c1-20-14-9-7-12(8-10-14)15-11-16(22(18,19)17-21-15)13-5-3-2-4-6-13/h2-11,16H,1H3
InChIKeyKVYXDLTZUHUDIV-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.66
Rot. Bonds3

About CID 134852077

CID 134852077 (PubChem CID 134852077) has the molecular formula C16H14NO4S and a molecular weight of 316.36 g/mol.

Molecular Properties

Compound NameCID 134852077
PubChem CID134852077
Molecular FormulaC16H14NO4S
Molecular Weight316.36 g/mol
Exact Mass316.06
IUPAC Name—
SMILESCOc1ccc(C2=CC(c3ccccc3)S(=O)(=O)[N]O2)cc1
InChIInChI=1S/C16H14NO4S/c1-20-14-9-7-12(8-10-14)15-11-16(22(18,19)17-21-15)13-5-3-2-4-6-13/h2-11,16H,1H3
InChIKeyKVYXDLTZUHUDIV-UHFFFAOYSA-N
XLogP2.66
TPSA66.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one
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6-(4-methoxyphenyl)-2,4-diphenyl-2H-pyran
CID 57376774
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
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methyl (4S,5S)-2-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923484
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
CID 590944
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole
CID 71398426
anisole;methyl 4-methoxybenzoate
CID 158093995

Frequently Asked Questions

What is the IUPAC name of CID 134852077?
The IUPAC name of CID 134852077 (CID 134852077) is not available.
What is the SMILES notation for CID 134852077?
The canonical SMILES for CID 134852077 is COc1ccc(C2=CC(c3ccccc3)S(=O)(=O)[N]O2)cc1.
What is the InChIKey of CID 134852077?
The InChIKey is KVYXDLTZUHUDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14NO4S/c1-20-14-9-7-12(8-10-14)15-11-16(22(18,19)17-21-15)13-5-3-2-4-6-13/h2-11,16H,1H3.
What are the key properties of CID 134852077?
CID 134852077 has a molecular weight of 316.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134852077 is sourced from PubChem (CID 134852077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).