N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C11H15N3O3S2 — CID 42349713

IUPACN-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCO)c(-c2cccs2)n1
InChIInChI=1S/C11H15N3O3S2/c1-14-8-10(19(16,17)12-5-3-6-15)11(13-14)9-4-2-7-18-9/h2,4,7-8,12,15H,3,5-6H2,1H3
InChIKeyCAMOBNDENXWLNL-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.81
Rot. Bonds6

About N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42349713) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42349713
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC NameN-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCO)c(-c2cccs2)n1
InChIInChI=1S/C11H15N3O3S2/c1-14-8-10(19(16,17)12-5-3-6-15)11(13-14)9-4-2-7-18-9/h2,4,7-8,12,15H,3,5-6H2,1H3
InChIKeyCAMOBNDENXWLNL-UHFFFAOYSA-N
XLogP0.81
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-N-(thien-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 3243813
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}methanesulfonamide
CID 71808159
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanesulfonamide
CID 71808160
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}propane-1-sulfonamide
CID 71808161
1,3,5-trimethyl-N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 71808189
1-methyl-N-[2-(1-thiophen-2-ylethylsulfanyl)ethyl]pyrazole-4-sulfonamide
CID 71995583
1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 6468307
1,3-dimethyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 19682470
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 99873984
N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349792
N-(2-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349873
N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349876

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42349713) is N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCCO)c(-c2cccs2)n1.
What is the InChIKey of N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is CAMOBNDENXWLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-14-8-10(19(16,17)12-5-3-6-15)11(13-14)9-4-2-7-18-9/h2,4,7-8,12,15H,3,5-6H2,1H3.
What are the key properties of N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).