N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

C10H13N3O2S2 — CID 19580405

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccnn1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H13N3O2S2/c1-12(8-9-5-6-11-13(9)2)17(14,15)10-4-3-7-16-10/h3-7H,8H2,1-2H3
InChIKeyPPNLQUBAVMLIHQ-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.30
Rot. Bonds4

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 19580405) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID19580405
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccnn1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H13N3O2S2/c1-12(8-9-5-6-11-13(9)2)17(14,15)10-4-3-7-16-10/h3-7H,8H2,1-2H3
InChIKeyPPNLQUBAVMLIHQ-UHFFFAOYSA-N
XLogP1.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-(thiophen-2-ylsulfonyl)piperazine
CID 71783865
N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)thiophene-2-sulfonamide
CID 71808060
N-cyclopentyl-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)thiophene-2-sulfonamide
CID 121020236
1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole
CID 164632107
1-(3-Bromothiophen-2-yl)sulfonyl-3-[5-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 75448798
(3R)-1-(3-bromothiophen-2-yl)sulfonyl-3-[5-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 97260687
(3S)-1-(3-bromothiophen-2-yl)sulfonyl-3-[5-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 97260688
N-cyclohexyl-1-methyl-N-thiophen-3-yl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 167839121
4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide
CID 167895917
3-[(3-Methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole
CID 167900899
[(1-Ethylpyrazol-5-yl)methyl]methyl(2-thienylsulfonyl)amine
CID 4775478
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N-methyl-2-thiophenesulfonamide
CID 19575236

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (CID 19580405) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide is CN(Cc1ccnn1C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is PPNLQUBAVMLIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-12(8-9-5-6-11-13(9)2)17(14,15)10-4-3-7-16-10/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 19580405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).