N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

C13H17N3O2S — CID 22204121

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C13H17N3O2S/c1-3-16-11-12(9-14-16)10-15(2)19(17,18)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3
InChIKeyRHHNMEQODDYKEL-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.72
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 22204121) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID22204121
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C13H17N3O2S/c1-3-16-11-12(9-14-16)10-15(2)19(17,18)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3
InChIKeyRHHNMEQODDYKEL-UHFFFAOYSA-N
XLogP1.72
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(1-ethyl-1H-pyrazol-4-yl)-2-(phenylsulfonyl)acrylonitrile
CID 971404
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-[(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,3,4-trimethylbenzenesulfonamide
CID 3277554
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
2,5-difluoro-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 17376057

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (CID 22204121) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is CCn1cc(CN(C)S(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is RHHNMEQODDYKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-16-11-12(9-14-16)10-15(2)19(17,18)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.72, 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-methylbenzenesulfonamide is sourced from PubChem (CID 22204121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).