N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

C12H17N3O2S2 — CID 47400648

IUPACN-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C12H17N3O2S2/c1-4-15(9-11-7-13-14(3)8-11)19(16,17)12-6-5-10(2)18-12/h5-8H,4,9H2,1-3H3
InChIKeyRIFUPDLPFCPLIK-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.00
Rot. Bonds5

About N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 47400648) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID47400648
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C12H17N3O2S2/c1-4-15(9-11-7-13-14(3)8-11)19(16,17)12-6-5-10(2)18-12/h5-8H,4,9H2,1-3H3
InChIKeyRIFUPDLPFCPLIK-UHFFFAOYSA-N
XLogP2.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 47400648) is N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is RIFUPDLPFCPLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-4-15(9-11-7-13-14(3)8-11)19(16,17)12-6-5-10(2)18-12/h5-8H,4,9H2,1-3H3.
What are the key properties of N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 47400648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).