N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide

C16H23N3O2S — CID 22204129

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C16H23N3O2S/c1-5-19-12-14(10-17-19)11-18(4)22(20,21)16-8-6-15(7-9-16)13(2)3/h6-10,12-13H,5,11H2,1-4H3
InChIKeyMEDAVFZSRVMILW-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.85
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide (PubChem CID 22204129) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
PubChem CID22204129
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C16H23N3O2S/c1-5-19-12-14(10-17-19)11-18(4)22(20,21)16-8-6-15(7-9-16)13(2)3/h6-10,12-13H,5,11H2,1-4H3
InChIKeyMEDAVFZSRVMILW-UHFFFAOYSA-N
XLogP2.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
4-(tert-butyl)-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808927
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
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide (CID 22204129) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide is CCn1cc(CN(C)S(=O)(=O)c2ccc(C(C)C)cc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide?
The InChIKey is MEDAVFZSRVMILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-5-19-12-14(10-17-19)11-18(4)22(20,21)16-8-6-15(7-9-16)13(2)3/h6-10,12-13H,5,11H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.85, 6 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-methyl-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 22204129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).