(Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine

C14H12BrNO2S — CID 138974646

IUPAC(Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine
SMILESN/C(=C\S(=O)(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H12BrNO2S/c15-12-8-4-5-9-14(12)19(17,18)10-13(16)11-6-2-1-3-7-11/h1-10H,16H2/b13-10-
InChIKeyZUNVLMRPPDIJTB-RAXLEYEMSA-N
MW338.23 g/mol
LogP3.18
Rot. Bonds3

About (Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine

(Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine (PubChem CID 138974646) has the molecular formula C14H12BrNO2S and a molecular weight of 338.23 g/mol. Its IUPAC name is (Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine.

Molecular Properties

Compound Name(Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine
PubChem CID138974646
Molecular FormulaC14H12BrNO2S
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC Name(Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine
SMILESN/C(=C\S(=O)(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H12BrNO2S/c15-12-8-4-5-9-14(12)19(17,18)10-13(16)11-6-2-1-3-7-11/h1-10H,16H2/b13-10-
InChIKeyZUNVLMRPPDIJTB-RAXLEYEMSA-N
XLogP3.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-methylsulfonyl-1-phenylethenamine
CID 13299506
2-bromobenzenesulfonate
CID 23001018
2-bromobenzenesulfonamide;hydrochloride
CID 172836390
carbamoyl 2-bromobenzenesulfonate
CID 175318576
1,2-diphenylethene-1,2-diamine;sulfuric acid
CID 70255418
1-(amino-methylidene-oxo-λ6-sulfanyl)-2-bromobenzene
CID 91226081
2-aminobenzaldehyde;2-bromobenzenesulfonic acid
CID 175498765
1,1-bis[(2-bromophenyl)sulfonyl]guanidine
CID 19755154
2-(benzenesulfonyl)ethene-1,1-diamine
CID 21311523
(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
CID 67619754
2-bromobenzenesulfonyl chloride;ethane
CID 145241155
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine?
The IUPAC name of (Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine (CID 138974646) is (Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine.
What is the SMILES notation for (Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine?
The canonical SMILES for (Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine is N/C(=C\S(=O)(=O)c1ccccc1Br)c1ccccc1.
What is the InChIKey of (Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine?
The InChIKey is ZUNVLMRPPDIJTB-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H12BrNO2S/c15-12-8-4-5-9-14(12)19(17,18)10-13(16)11-6-2-1-3-7-11/h1-10H,16H2/b13-10-.
What are the key properties of (Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine?
(Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine has a molecular weight of 338.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine is sourced from PubChem (CID 138974646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).