(Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile

C15H9BrFNO2S — CID 74766394

IUPAC(Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H9BrFNO2S/c16-12-4-6-14(7-5-12)21(19,20)15(10-18)9-11-2-1-3-13(17)8-11/h1-9H/b15-9-
InChIKeyRVXHCTIXKSPVLV-DHDCSXOGSA-N
MW366.21 g/mol
LogP3.93
Rot. Bonds3

About (Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile

(Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile (PubChem CID 74766394) has the molecular formula C15H9BrFNO2S and a molecular weight of 366.21 g/mol. Its IUPAC name is (Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile
PubChem CID74766394
Molecular FormulaC15H9BrFNO2S
Molecular Weight366.21 g/mol
Exact Mass364.95
IUPAC Name(Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H9BrFNO2S/c16-12-4-6-14(7-5-12)21(19,20)15(10-18)9-11-2-1-3-13(17)8-11/h1-9H/b15-9-
InChIKeyRVXHCTIXKSPVLV-DHDCSXOGSA-N
XLogP3.93
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

4-((4-Bromophenyl)thio)benZonitrile
CID 43090939
(Z)-2-(benzenesulfonyl)-3-(4-fluorophenyl)prop-2-enenitrile
CID 1669174
p-Bromophenyl styryl sulfone
CID 5369347
1-Bromo-4-((4-fluorophenyl)sulfonyl)benzene
CID 14711968
1-Bromo-4-tosylbenzene
CID 11426909
1-Bromo-4-(phenylmethanesulfonyl)benzene
CID 13704905
(2E)-3-(4-fluorophenyl)-2-(phenylsulfonyl)prop-2-enenitrile
CID 880343
[(4-Bromo-2-fluorophenyl)sulfonyl]acetonitrile
CID 53337166
2-(4-Bromophenyl)sulfanyl-6-fluorobenzonitrile
CID 10447963
1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene
CID 139124011
1-Bromo-4-(2-fluoro-2-phenylethyl)sulfonylbenzene
CID 154713333
1-[2-(Benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene
CID 177853000

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile (CID 74766394) is (Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile is N#C/C(=C/c1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile?
The InChIKey is RVXHCTIXKSPVLV-DHDCSXOGSA-N. The full InChI is InChI=1S/C15H9BrFNO2S/c16-12-4-6-14(7-5-12)21(19,20)15(10-18)9-11-2-1-3-13(17)8-11/h1-9H/b15-9-.
What are the key properties of (Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile?
(Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile has a molecular weight of 366.21 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-bromophenyl)sulfonyl-3-(3-fluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 74766394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).