N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide

C17H19N3O4S — CID 122266139

IUPACN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccco2)n2cccn2)c(C)c1
InChIInChI=1S/C17H19N3O4S/c1-13-11-14(23-2)6-7-17(13)25(21,22)19-12-15(16-5-3-10-24-16)20-9-4-8-18-20/h3-11,15,19H,12H2,1-2H3
InChIKeyIMDSCBGNHVHEHA-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 122266139) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID122266139
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccco2)n2cccn2)c(C)c1
InChIInChI=1S/C17H19N3O4S/c1-13-11-14(23-2)6-7-17(13)25(21,22)19-12-15(16-5-3-10-24-16)20-9-4-8-18-20/h3-11,15,19H,12H2,1-2H3
InChIKeyIMDSCBGNHVHEHA-UHFFFAOYSA-N
XLogP2.36
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 86767927
N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 131702587
methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate
CID 122266198
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 126850421
5-ethyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]thiophene-2-sulfonamide
CID 122266119
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide
CID 122266153
3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide
CID 122266105
1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide
CID 122266102
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 122266192
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-6-methoxy-1H-indole-2-carboxamide
CID 122266074
N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide
CID 121145601
1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 122266305

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide (CID 122266139) is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(c2ccco2)n2cccn2)c(C)c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is IMDSCBGNHVHEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-13-11-14(23-2)6-7-17(13)25(21,22)19-12-15(16-5-3-10-24-16)20-9-4-8-18-20/h3-11,15,19H,12H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 122266139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).