CID 118692692

C8H11KNO4S — CID 118692692

IUPAC—
SMILESCOc1ccc(S(N)(=O)=O)cc1OC.[K]
InChIInChI=1S/C8H11NO4S.K/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2;/h3-5H,1-2H3,(H2,9,10,11);
InChIKeyZBFTYTIYDSKKMF-UHFFFAOYSA-N
MW256.34 g/mol
LogP-0.03
Rot. Bonds3

About CID 118692692

CID 118692692 (PubChem CID 118692692) has the molecular formula C8H11KNO4S and a molecular weight of 256.34 g/mol.

Molecular Properties

Compound NameCID 118692692
PubChem CID118692692
Molecular FormulaC8H11KNO4S
Molecular Weight256.34 g/mol
Exact Mass256.00
IUPAC Name—
SMILESCOc1ccc(S(N)(=O)=O)cc1OC.[K]
InChIInChI=1S/C8H11NO4S.K/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2;/h3-5H,1-2H3,(H2,9,10,11);
InChIKeyZBFTYTIYDSKKMF-UHFFFAOYSA-N
XLogP-0.03
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methoxy-4-sulfamoylbenzoyl chloride
CID 86142188
calcium;3,4-dimethoxybenzenesulfonic acid;hydride
CID 174743928
4-methoxy-3-[methyl(methylsulfonyl)amino]benzenesulfonamide
CID 7730636
4-ethynylsulfonyl-1,2-dimethoxybenzene
CID 10176908
3-(2-aminopropyl)-4-methoxybenzenesulfonamide
CID 67643235
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide
CID 20658521
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852

Frequently Asked Questions

What is the IUPAC name of CID 118692692?
The IUPAC name of CID 118692692 (CID 118692692) is not available.
What is the SMILES notation for CID 118692692?
The canonical SMILES for CID 118692692 is COc1ccc(S(N)(=O)=O)cc1OC.[K].
What is the InChIKey of CID 118692692?
The InChIKey is ZBFTYTIYDSKKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S.K/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2;/h3-5H,1-2H3,(H2,9,10,11);.
What are the key properties of CID 118692692?
CID 118692692 has a molecular weight of 256.34 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118692692 is sourced from PubChem (CID 118692692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).