phenyl 5-sulfamoylthiophene-2-sulfonate

C10H9NO5S3 — CID 174655161

IUPACphenyl 5-sulfamoylthiophene-2-sulfonate
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccccc2)s1
InChIInChI=1S/C10H9NO5S3/c11-18(12,13)9-6-7-10(17-9)19(14,15)16-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
InChIKeyVTSOILOHSCUIKH-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.16
Rot. Bonds4

About phenyl 5-sulfamoylthiophene-2-sulfonate

phenyl 5-sulfamoylthiophene-2-sulfonate (PubChem CID 174655161) has the molecular formula C10H9NO5S3 and a molecular weight of 319.38 g/mol. Its IUPAC name is phenyl 5-sulfamoylthiophene-2-sulfonate.

Molecular Properties

Compound Namephenyl 5-sulfamoylthiophene-2-sulfonate
PubChem CID174655161
Molecular FormulaC10H9NO5S3
Molecular Weight319.38 g/mol
Exact Mass318.96
IUPAC Namephenyl 5-sulfamoylthiophene-2-sulfonate
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccccc2)s1
InChIInChI=1S/C10H9NO5S3/c11-18(12,13)9-6-7-10(17-9)19(14,15)16-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
InChIKeyVTSOILOHSCUIKH-UHFFFAOYSA-N
XLogP1.16
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

phenyl 3-sulfamoylpyridine-4-sulfonate
CID 175256683
(4-carbamoylphenyl) 5-bromothiophene-2-sulfonate
CID 26945610
(4-methoxyphenyl) 5-pyridin-2-ylthiophene-2-sulfonate
CID 2820661
2-(phenoxymethyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 24645763
1-ethyl-3-(2-phenoxyethyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
CID 111005731
(5-sulfamoylthiophen-2-yl) formate
CID 174249417
sodium phenyl sulfate
CID 23678346
diphenyl ethane-1,2-disulfonate
CID 4219954
(3-cyanophenyl) 5-methylthiophene-2-sulfonate
CID 47109822
(4-acetylphenyl) 5-bromothiophene-2-sulfonate
CID 26946052
[3-(benzylcarbamoyl)phenyl] 5-bromothiophene-2-sulfonate
CID 32940714
ethane-1,2-diamine;phenyl hydrogen sulfate
CID 70504124

Frequently Asked Questions

What is the IUPAC name of phenyl 5-sulfamoylthiophene-2-sulfonate?
The IUPAC name of phenyl 5-sulfamoylthiophene-2-sulfonate (CID 174655161) is phenyl 5-sulfamoylthiophene-2-sulfonate.
What is the SMILES notation for phenyl 5-sulfamoylthiophene-2-sulfonate?
The canonical SMILES for phenyl 5-sulfamoylthiophene-2-sulfonate is NS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccccc2)s1.
What is the InChIKey of phenyl 5-sulfamoylthiophene-2-sulfonate?
The InChIKey is VTSOILOHSCUIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5S3/c11-18(12,13)9-6-7-10(17-9)19(14,15)16-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13).
What are the key properties of phenyl 5-sulfamoylthiophene-2-sulfonate?
phenyl 5-sulfamoylthiophene-2-sulfonate has a molecular weight of 319.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-sulfamoylthiophene-2-sulfonate is sourced from PubChem (CID 174655161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).