N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide

C16H23N3O4S — CID 22204096

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C16H23N3O4S/c1-6-19-12(2)13(10-17-19)11-18(3)24(20,21)14-7-8-15(22-4)16(9-14)23-5/h7-10H,6,11H2,1-5H3
InChIKeyQGOOTYPQYHDEBA-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.05
Rot. Bonds7

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 22204096) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
PubChem CID22204096
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C16H23N3O4S/c1-6-19-12(2)13(10-17-19)11-18(3)24(20,21)14-7-8-15(22-4)16(9-14)23-5/h7-10H,6,11H2,1-5H3
InChIKeyQGOOTYPQYHDEBA-UHFFFAOYSA-N
XLogP2.05
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide (CID 22204096) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide is CCn1ncc(CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is QGOOTYPQYHDEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-6-19-12(2)13(10-17-19)11-18(3)24(20,21)14-7-8-15(22-4)16(9-14)23-5/h7-10H,6,11H2,1-5H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 22204096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).