4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C14H19N3O3S — CID 22771377

IUPAC4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3O3S/c1-4-20-13-5-7-14(8-6-13)21(18,19)17(3)11-12-9-15-16(2)10-12/h5-10H,4,11H2,1-3H3
InChIKeyZJEPXNMSBMBIDP-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.64
Rot. Bonds6

About 4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 22771377) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID22771377
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3O3S/c1-4-20-13-5-7-14(8-6-13)21(18,19)17(3)11-12-9-15-16(2)10-12/h5-10H,4,11H2,1-3H3
InChIKeyZJEPXNMSBMBIDP-UHFFFAOYSA-N
XLogP1.64
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 22771377) is 4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1.
What is the InChIKey of 4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZJEPXNMSBMBIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-20-13-5-7-14(8-6-13)21(18,19)17(3)11-12-9-15-16(2)10-12/h5-10H,4,11H2,1-3H3.
What are the key properties of 4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 22771377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).