N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide

C28H24INO2S — CID 10840704

IUPACN-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(/C(=C(\I)c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24INO2S/c1-21-17-19-25(20-18-21)33(31,32)30-28(24-15-9-4-10-16-24)26(22-11-5-2-6-12-22)27(29)23-13-7-3-8-14-23/h2-20,28,30H,1H3/b27-26-
InChIKeyRDGQAJIVPHWUDP-RQZHXJHFSA-N
MW565.48 g/mol
LogP7.02
Rot. Bonds7

About N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide

N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 10840704) has the molecular formula C28H24INO2S and a molecular weight of 565.48 g/mol. Its IUPAC name is N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide
PubChem CID10840704
Molecular FormulaC28H24INO2S
Molecular Weight565.48 g/mol
Exact Mass565.06
IUPAC NameN-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(/C(=C(\I)c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24INO2S/c1-21-17-19-25(20-18-21)33(31,32)30-28(24-15-9-4-10-16-24)26(22-11-5-2-6-12-22)27(29)23-13-7-3-8-14-23/h2-20,28,30H,1H3/b27-26-
InChIKeyRDGQAJIVPHWUDP-RQZHXJHFSA-N
XLogP7.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.48
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide
CID 102415816
methyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 14352064
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
ethylsulfanyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67587191
ethyl 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 11089671
ethyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 13360721
N-[2-benzoyl-1-(4-ethylphenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 10927925
(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide
CID 102010985
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide (CID 10840704) is N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(/C(=C(\I)c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is RDGQAJIVPHWUDP-RQZHXJHFSA-N. The full InChI is InChI=1S/C28H24INO2S/c1-21-17-19-25(20-18-21)33(31,32)30-28(24-15-9-4-10-16-24)26(22-11-5-2-6-12-22)27(29)23-13-7-3-8-14-23/h2-20,28,30H,1H3/b27-26-.
What are the key properties of N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide?
N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 565.48 g/mol, XLogP of 7.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10840704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).