N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide

C15H21N3O2S — CID 3277554

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H21N3O2S/c1-5-18-11-14(9-16-18)10-17(4)21(19,20)15-7-6-12(2)13(3)8-15/h6-9,11H,5,10H2,1-4H3
InChIKeyYWFDBVUFHALHHO-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.34
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide

N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide (PubChem CID 3277554) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
PubChem CID3277554
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H21N3O2S/c1-5-18-11-14(9-16-18)10-17(4)21(19,20)15-7-6-12(2)13(3)8-15/h6-9,11H,5,10H2,1-4H3
InChIKeyYWFDBVUFHALHHO-UHFFFAOYSA-N
XLogP2.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
N,2,4,6-tetramethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 896677
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
2-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 6468426
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-naphthalenesulfonamide
CID 1231757
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6873460
[(1E)-2-(1,3-dimethylpyrazol-4-yl)-1-azavinyl][(4-methylphenyl)sulfonyl]amine
CID 6873384
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-(propan-2-yl)benzenesulfonamide
CID 22204129
1-benzyl-1H-pyrazole-4-sulfonyl chloride
CID 43531756
1-ethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6470517
4-fluoro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 17512561

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide (CID 3277554) is N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide is CCn1cc(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide?
The InChIKey is YWFDBVUFHALHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-18-11-14(9-16-18)10-17(4)21(19,20)15-7-6-12(2)13(3)8-15/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 3277554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).