N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide

C17H18N4O2S2 — CID 72718696

IUPACN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1nc(-c2ccncc2)cc1C1CC1)c1cccs1
InChIInChI=1S/C17H18N4O2S2/c22-25(23,17-2-1-11-24-17)19-9-10-21-16(14-3-4-14)12-15(20-21)13-5-7-18-8-6-13/h1-2,5-8,11-12,14,19H,3-4,9-10H2
InChIKeyIVLRDOAVXIQLTG-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.86
Rot. Bonds7

About N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide

N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 72718696) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID72718696
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1nc(-c2ccncc2)cc1C1CC1)c1cccs1
InChIInChI=1S/C17H18N4O2S2/c22-25(23,17-2-1-11-24-17)19-9-10-21-16(14-3-4-14)12-15(20-21)13-5-7-18-8-6-13/h1-2,5-8,11-12,14,19H,3-4,9-10H2
InChIKeyIVLRDOAVXIQLTG-UHFFFAOYSA-N
XLogP2.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
CID 72718695
N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42144180
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide
CID 72718711
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 72718654
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 72718644
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 72718645
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 91629003
1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
CID 72718704
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
CID 119102759
(2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide
CID 97427511
5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide
CID 121019977

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 72718696) is N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1nc(-c2ccncc2)cc1C1CC1)c1cccs1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is IVLRDOAVXIQLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c22-25(23,17-2-1-11-24-17)19-9-10-21-16(14-3-4-14)12-15(20-21)13-5-7-18-8-6-13/h1-2,5-8,11-12,14,19H,3-4,9-10H2.
What are the key properties of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 374.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 72718696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).