N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide

C19H19BrFNO2S — CID 163210393

IUPACN-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
SMILESC=C(Br)CN(C/C=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19BrFNO2S/c1-15-5-11-19(12-6-15)25(23,24)22(14-16(2)20)13-3-4-17-7-9-18(21)10-8-17/h3-12H,2,13-14H2,1H3/b4-3+
InChIKeyMNWWIDLMBKKNFK-ONEGZZNKSA-N
MW424.34 g/mol
LogP4.75
Rot. Bonds7

About N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide

N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 163210393) has the molecular formula C19H19BrFNO2S and a molecular weight of 424.34 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
PubChem CID163210393
Molecular FormulaC19H19BrFNO2S
Molecular Weight424.34 g/mol
Exact Mass423.03
IUPAC NameN-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
SMILESC=C(Br)CN(C/C=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19BrFNO2S/c1-15-5-11-19(12-6-15)25(23,24)22(14-16(2)20)13-3-4-17-7-9-18(21)10-8-17/h3-12H,2,13-14H2,1H3/b4-3+
InChIKeyMNWWIDLMBKKNFK-ONEGZZNKSA-N
XLogP4.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide
CID 121219829
2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide
CID 142683254
2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium
CID 154709950
N-(2-azidoprop-2-enyl)-4-methyl-N-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 135029329
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
CID 101398637
4-methyl-N-[(E)-3-(2,3,4,5,6-pentadeuteriophenyl)prop-2-enyl]-N-prop-2-ynylbenzenesulfonamide
CID 122402009
N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
CID 102104553
N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetyl chloride
CID 102026013
ethyl 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetate
CID 11587455
N-[(4-fluorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 126072480

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide (CID 163210393) is N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide is C=C(Br)CN(C/C=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is MNWWIDLMBKKNFK-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H19BrFNO2S/c1-15-5-11-19(12-6-15)25(23,24)22(14-16(2)20)13-3-4-17-7-9-18(21)10-8-17/h3-12H,2,13-14H2,1H3/b4-3+.
What are the key properties of N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 424.34 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 163210393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).