CID 58079030

C10H11NO4S — CID 58079030

IUPAC—
SMILES[CH]C(=NOS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C10H11NO4S/c1-8(11-15-16(3,12)13)9-4-6-10(14-2)7-5-9/h1,4-7H,2-3H3
InChIKeyBKMMXKMRJDDPRX-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.09
Rot. Bonds4

About CID 58079030

CID 58079030 (PubChem CID 58079030) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol.

Molecular Properties

Compound NameCID 58079030
PubChem CID58079030
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name—
SMILES[CH]C(=NOS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C10H11NO4S/c1-8(11-15-16(3,12)13)9-4-6-10(14-2)7-5-9/h1,4-7H,2-3H3
InChIKeyBKMMXKMRJDDPRX-UHFFFAOYSA-N
XLogP1.09
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] methanesulfonate
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[4-(4-methoxyphenyl)but-3-en-2-ylideneamino] methanesulfonate
CID 141018323
N-fluorosulfonyloxy-4-methoxybenzenecarboximidoyl cyanide
CID 90818854
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] methanesulfonate
CID 13311957
[(Z)-[chloro-(4-phenoxyphenyl)methylidene]amino] methanesulfonate
CID 134122638
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
[(E)-[cyano-(4-methoxyphenyl)methylidene]amino] propane-1-sulfonate
CID 87733661
1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene
CID 172676194
1-(4-methoxyphenyl)-2-methylsulfonylpropan-1-one
CID 62786269
(4-methoxyphenyl)-oxomethanesulfonyl chloride
CID 21104949
4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide
CID 66767279
[4-[4-(4-methoxybenzoyl)oxyphenyl]sulfonylphenyl] 4-methoxybenzoate
CID 2379395

Frequently Asked Questions

What is the IUPAC name of CID 58079030?
The IUPAC name of CID 58079030 (CID 58079030) is not available.
What is the SMILES notation for CID 58079030?
The canonical SMILES for CID 58079030 is [CH]C(=NOS(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of CID 58079030?
The InChIKey is BKMMXKMRJDDPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-8(11-15-16(3,12)13)9-4-6-10(14-2)7-5-9/h1,4-7H,2-3H3.
What are the key properties of CID 58079030?
CID 58079030 has a molecular weight of 241.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58079030 is sourced from PubChem (CID 58079030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).