N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide

C9H7ClN2O4S2 — CID 86691256

IUPACN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C=O)c1Cl
InChIInChI=1S/C9H7ClN2O4S2/c1-5-8(10)9(16-11-5)12-18(14,15)7-2-3-17-6(7)4-13/h2-4,12H,1H3
InChIKeyYQALWPNGBBVBRG-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.31
Rot. Bonds4

About N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide (PubChem CID 86691256) has the molecular formula C9H7ClN2O4S2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide
PubChem CID86691256
Molecular FormulaC9H7ClN2O4S2
Molecular Weight306.75 g/mol
Exact Mass305.95
IUPAC NameN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C=O)c1Cl
InChIInChI=1S/C9H7ClN2O4S2/c1-5-8(10)9(16-11-5)12-18(14,15)7-2-3-17-6(7)4-13/h2-4,12H,1H3
InChIKeyYQALWPNGBBVBRG-UHFFFAOYSA-N
XLogP2.31
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide
CID 22998496
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(4,5-dihydroxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 71055563
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 70060324
methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate
CID 174365754
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide
CID 54011826
2-acetyl-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide;2-(2,6-dimethylphenyl)acetic acid
CID 174436592
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-3-sulfamoylthiophene-2-carboxamide
CID 23445526
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 10226215
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-[3-(hydroxymethyl)-2,4,6-trimethylphenyl]acetyl]thiophene-3-sulfonamide
CID 23445289
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-ethyl-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 70248458
[3-(dimethylamino)phenyl] 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 23445293
sodium 3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenolate
CID 23688225

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide?
The IUPAC name of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide (CID 86691256) is N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide?
The canonical SMILES for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide is Cc1noc(NS(=O)(=O)c2ccsc2C=O)c1Cl.
What is the InChIKey of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide?
The InChIKey is YQALWPNGBBVBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O4S2/c1-5-8(10)9(16-11-5)12-18(14,15)7-2-3-17-6(7)4-13/h2-4,12H,1H3.
What are the key properties of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide?
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide has a molecular weight of 306.75 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide is sourced from PubChem (CID 86691256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).