4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide

C12H13F2N3O2S2 — CID 136569911

IUPAC4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide
SMILESCn1nc2c(c1NS(=O)(=O)c1cscc1C(F)F)CCC2
InChIInChI=1S/C12H13F2N3O2S2/c1-17-12(7-3-2-4-9(7)15-17)16-21(18,19)10-6-20-5-8(10)11(13)14/h5-6,11,16H,2-4H2,1H3
InChIKeySAXBSWPTAAMMCN-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.71
Rot. Bonds4

About 4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide

4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide (PubChem CID 136569911) has the molecular formula C12H13F2N3O2S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide
PubChem CID136569911
Molecular FormulaC12H13F2N3O2S2
Molecular Weight333.39 g/mol
Exact Mass333.04
IUPAC Name4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide
SMILESCn1nc2c(c1NS(=O)(=O)c1cscc1C(F)F)CCC2
InChIInChI=1S/C12H13F2N3O2S2/c1-17-12(7-3-2-4-9(7)15-17)16-21(18,19)10-6-20-5-8(10)11(13)14/h5-6,11,16H,2-4H2,1H3
InChIKeySAXBSWPTAAMMCN-UHFFFAOYSA-N
XLogP2.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide
CID 138052552
4-(difluoromethyl)-N-(6-ethoxy-2-pyridinyl)thiophene-3-sulfonamide
CID 138021169
N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 167854843
N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine
CID 139801540
2-amino-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pentanamide
CID 119345963
4-ethoxy-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30859113
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-morpholin-4-ylbenzamide
CID 71935706
3-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid
CID 84676873
2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide
CID 91819423
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 47777690
N-(2-acetyl-1,3-dihydroisoindol-5-yl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-sulfonamide
CID 167841593

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide (CID 136569911) is 4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide is Cn1nc2c(c1NS(=O)(=O)c1cscc1C(F)F)CCC2.
What is the InChIKey of 4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide?
The InChIKey is SAXBSWPTAAMMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S2/c1-17-12(7-3-2-4-9(7)15-17)16-21(18,19)10-6-20-5-8(10)11(13)14/h5-6,11,16H,2-4H2,1H3.
What are the key properties of 4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide?
4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide has a molecular weight of 333.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 136569911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).