5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide

C16H24N4O2S2 — CID 20947610

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NCCCN3CCCC3)s2)c1C
InChIInChI=1S/C16H24N4O2S2/c1-12-13(2)18-19-16(12)14-6-7-15(23-14)24(21,22)17-8-5-11-20-9-3-4-10-20/h6-7,17H,3-5,8-11H2,1-2H3,(H,18,19)
InChIKeyXFKFWNYSZUSSFG-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.52
Rot. Bonds7

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide (PubChem CID 20947610) has the molecular formula C16H24N4O2S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide
PubChem CID20947610
Molecular FormulaC16H24N4O2S2
Molecular Weight368.53 g/mol
Exact Mass368.13
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NCCCN3CCCC3)s2)c1C
InChIInChI=1S/C16H24N4O2S2/c1-12-13(2)18-19-16(12)14-6-7-15(23-14)24(21,22)17-8-5-11-20-9-3-4-10-20/h6-7,17H,3-5,8-11H2,1-2H3,(H,18,19)
InChIKeyXFKFWNYSZUSSFG-UHFFFAOYSA-N
XLogP2.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 11294571
4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-3-phenyl-5-thiophen-2-yl-1H-pyrazole
CID 11466561
N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56663203
4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-3,5-dithiophen-2-yl-1H-pyrazole
CID 56673575
Pendrin inhibitor C01
CID 53138907
5-Methylsulfonyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 28097452
(3R*,4S*)-4-cyclopropyl-1-{[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)-3-thienyl]sulfonyl}pyrrolidin-3-amine
CID 72854836
4-methyl-1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-thienyl]sulfonyl}piperidine
CID 20947435
2-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 20947446
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 20947501
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide
CID 20947530
1-{[5-(3,4-Dimethyl-1H-pyrazol-5-YL)thiophen-2-YL]sulfonyl}-2,3-dihydro-1H-indole
CID 20947539

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide (CID 20947610) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide is Cc1[nH]nc(-c2ccc(S(=O)(=O)NCCCN3CCCC3)s2)c1C.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is XFKFWNYSZUSSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S2/c1-12-13(2)18-19-16(12)14-6-7-15(23-14)24(21,22)17-8-5-11-20-9-3-4-10-20/h6-7,17H,3-5,8-11H2,1-2H3,(H,18,19).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 368.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).