N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide

C17H25N3O2S — CID 22204132

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(CC(C)C)cc2)cn1
InChIInChI=1S/C17H25N3O2S/c1-5-20-13-16(11-18-20)12-19(4)23(21,22)17-8-6-15(7-9-17)10-14(2)3/h6-9,11,13-14H,5,10,12H2,1-4H3
InChIKeyFFCIMHYOFKCHTL-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.92
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 22204132) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
PubChem CID22204132
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(CC(C)C)cc2)cn1
InChIInChI=1S/C17H25N3O2S/c1-5-20-13-16(11-18-20)12-19(4)23(21,22)17-8-6-15(7-9-17)10-14(2)3/h6-9,11,13-14H,5,10,12H2,1-4H3
InChIKeyFFCIMHYOFKCHTL-UHFFFAOYSA-N
XLogP2.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204133
4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204130
N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090600
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
N-methyl-4-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64519189
N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 39626127
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 97083157
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline
CID 154782315
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-[(1-benzylpyrazol-4-yl)methyl]-4-bromo-N,3-dimethylbenzenesulfonamide
CID 26545286

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide (CID 22204132) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide is CCn1cc(CN(C)S(=O)(=O)c2ccc(CC(C)C)cc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is FFCIMHYOFKCHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-5-20-13-16(11-18-20)12-19(4)23(21,22)17-8-6-15(7-9-17)10-14(2)3/h6-9,11,13-14H,5,10,12H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.92, 7 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-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 22204132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).