N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide

C17H22N4O2S — CID 123716488

IUPACN-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide
SMILESC=Cc1c(-c2cccc(NS(=O)(=O)C=C)c2)nn(C(C)C)c1NC
InChIInChI=1S/C17H22N4O2S/c1-6-15-16(19-21(12(3)4)17(15)18-5)13-9-8-10-14(11-13)20-24(22,23)7-2/h6-12,18,20H,1-2H2,3-5H3
InChIKeyLRPYAIVQJFQTJG-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.70
Rot. Bonds7

About N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide

N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide (PubChem CID 123716488) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide
PubChem CID123716488
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide
SMILESC=Cc1c(-c2cccc(NS(=O)(=O)C=C)c2)nn(C(C)C)c1NC
InChIInChI=1S/C17H22N4O2S/c1-6-15-16(19-21(12(3)4)17(15)18-5)13-9-8-10-14(11-13)20-24(22,23)7-2/h6-12,18,20H,1-2H2,3-5H3
InChIKeyLRPYAIVQJFQTJG-UHFFFAOYSA-N
XLogP3.70
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)ethenesulfonamide
CID 58724758
4-[3-(ethenylsulfonylamino)phenyl]-2-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 134538309
3-[(3-aminophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;N-[3-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]ethenesulfonamide;2-chloroethanesulfonyl chloride
CID 159183173
4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293857
N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide
CID 172747956
N-[3-[2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidin-5-yl]phenyl]ethenesulfonamide
CID 89418291
N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide
CID 146575864
1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 142590107
N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 82474594
N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide
CID 126760459
N-[3-[4-(4-amino-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-2-chloro-5-methylphenyl]phenyl]ethenesulfonamide
CID 59293094
N-(3-methoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42284905

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide?
The IUPAC name of N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide (CID 123716488) is N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide.
What is the SMILES notation for N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide?
The canonical SMILES for N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide is C=Cc1c(-c2cccc(NS(=O)(=O)C=C)c2)nn(C(C)C)c1NC.
What is the InChIKey of N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide?
The InChIKey is LRPYAIVQJFQTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-6-15-16(19-21(12(3)4)17(15)18-5)13-9-8-10-14(11-13)20-24(22,23)7-2/h6-12,18,20H,1-2H2,3-5H3.
What are the key properties of N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide?
N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-ethenyl-5-(methylamino)-1-propan-2-ylpyrazol-3-yl]phenyl]ethenesulfonamide is sourced from PubChem (CID 123716488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).