5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide

C11H15N3O2S2 — CID 54954014

IUPAC5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C11H15N3O2S2/c1-8(5-10-3-4-17-7-10)14-18(15,16)11-6-12-13-9(11)2/h3-4,6-8,14H,5H2,1-2H3,(H,12,13)
InChIKeyFDMORDFQFVLCPQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.69
Rot. Bonds5

About 5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 54954014) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID54954014
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C11H15N3O2S2/c1-8(5-10-3-4-17-7-10)14-18(15,16)11-6-12-13-9(11)2/h3-4,6-8,14H,5H2,1-2H3,(H,12,13)
InChIKeyFDMORDFQFVLCPQ-UHFFFAOYSA-N
XLogP1.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474831
2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 106053233
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 62152021
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474983
5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61223337
3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 61474909
3-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-sulfonamide
CID 103305478
6-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 64602655
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 65479835
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 54953963

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide (CID 54954014) is 5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC(C)Cc1ccsc1.
What is the InChIKey of 5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is FDMORDFQFVLCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-8(5-10-3-4-17-7-10)14-18(15,16)11-6-12-13-9(11)2/h3-4,6-8,14H,5H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54954014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).