3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide

C16H15NO3S2 — CID 166266006

IUPAC3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide
SMILESO=C1CCc2c(NS(=O)(=O)c3sccc3C3CC3)cccc21
InChIInChI=1S/C16H15NO3S2/c18-15-7-6-12-13(15)2-1-3-14(12)17-22(19,20)16-11(8-9-21-16)10-4-5-10/h1-3,8-10,17H,4-7H2
InChIKeyUKUBHSNWKWEGCS-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.56
Rot. Bonds4

About 3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide

3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide (PubChem CID 166266006) has the molecular formula C16H15NO3S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide
PubChem CID166266006
Molecular FormulaC16H15NO3S2
Molecular Weight333.43 g/mol
Exact Mass333.05
IUPAC Name3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide
SMILESO=C1CCc2c(NS(=O)(=O)c3sccc3C3CC3)cccc21
InChIInChI=1S/C16H15NO3S2/c18-15-7-6-12-13(15)2-1-3-14(12)17-22(19,20)16-11(8-9-21-16)10-4-5-10/h1-3,8-10,17H,4-7H2
InChIKeyUKUBHSNWKWEGCS-UHFFFAOYSA-N
XLogP3.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-(2-fluorophenyl)thiophene-2-sulfonamide
CID 166369522
3-cyclopropyl-N-[2-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 166265972
3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide
CID 166369498
2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid
CID 166263601
3-cyclopropyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-4-yl]thiophene-2-sulfonamide
CID 167918973
3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81495157
3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
CID 64793855
3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide
CID 166369387
2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814262
methyl 4-cyclopropyl-3-[[2-thiophen-2-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 155718047
N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide
CID 62841074
1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide
CID 35507830

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide (CID 166266006) is 3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide is O=C1CCc2c(NS(=O)(=O)c3sccc3C3CC3)cccc21.
What is the InChIKey of 3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide?
The InChIKey is UKUBHSNWKWEGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S2/c18-15-7-6-12-13(15)2-1-3-14(12)17-22(19,20)16-11(8-9-21-16)10-4-5-10/h1-3,8-10,17H,4-7H2.
What are the key properties of 3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide?
3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide has a molecular weight of 333.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 166266006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).