N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide

C14H16F3N3O2S2 — CID 4767543

IUPACN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cccs1
InChIInChI=1S/C14H16F3N3O2S2/c15-14(16,17)12-9-11(10-4-5-10)20(19-12)7-2-6-18-24(21,22)13-3-1-8-23-13/h1,3,8-10,18H,2,4-7H2
InChIKeySMJDCYCHJMXYDB-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.21
Rot. Bonds7

About N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide

N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide (PubChem CID 4767543) has the molecular formula C14H16F3N3O2S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide
PubChem CID4767543
Molecular FormulaC14H16F3N3O2S2
Molecular Weight379.43 g/mol
Exact Mass379.06
IUPAC NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cccs1
InChIInChI=1S/C14H16F3N3O2S2/c15-14(16,17)12-9-11(10-4-5-10)20(19-12)7-2-6-18-24(21,22)13-3-1-8-23-13/h1,3,8-10,18H,2,4-7H2
InChIKeySMJDCYCHJMXYDB-UHFFFAOYSA-N
XLogP3.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide (CID 4767543) is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide is O=S(=O)(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cccs1.
What is the InChIKey of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide?
The InChIKey is SMJDCYCHJMXYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S2/c15-14(16,17)12-9-11(10-4-5-10)20(19-12)7-2-6-18-24(21,22)13-3-1-8-23-13/h1,3,8-10,18H,2,4-7H2.
What are the key properties of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide?
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide has a molecular weight of 379.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4767543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).