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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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).