N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide

C21H23N3O2S — CID 163248619

IUPACN-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESC=C(C)c1cn(-c2c(C)cc(C)cc2C)nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H23N3O2S/c1-14(2)19-13-24(20-16(4)11-15(3)12-17(20)5)22-21(19)23-27(25,26)18-9-7-6-8-10-18/h6-13H,1H2,2-5H3,(H,22,23)
InChIKeyCPZKNIKCMAFEFN-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.63
Rot. Bonds5

About N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide

N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 163248619) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID163248619
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESC=C(C)c1cn(-c2c(C)cc(C)cc2C)nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H23N3O2S/c1-14(2)19-13-24(20-16(4)11-15(3)12-17(20)5)22-21(19)23-27(25,26)18-9-7-6-8-10-18/h6-13H,1H2,2-5H3,(H,22,23)
InChIKeyCPZKNIKCMAFEFN-UHFFFAOYSA-N
XLogP4.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
CID 170395582
N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide
CID 163248322
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
CID 58621208
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
N-[2-[1-(2-methylphenyl)ethenyl]phenyl]benzenesulfonamide
CID 170558125
N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 163248350
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
CID 170397534
N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012
4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide
CID 175305873
N-[3-(3,5-dimethylanilino)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
CID 46187764

Frequently Asked Questions

What is the IUPAC name of N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide (CID 163248619) is N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide is C=C(C)c1cn(-c2c(C)cc(C)cc2C)nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is CPZKNIKCMAFEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(2)19-13-24(20-16(4)11-15(3)12-17(20)5)22-21(19)23-27(25,26)18-9-7-6-8-10-18/h6-13H,1H2,2-5H3,(H,22,23).
What are the key properties of N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide?
N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 163248619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).