(2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide

C19H19BrN2O4S — CID 35745347

IUPAC(2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H19BrN2O4S/c1-3-4-5-6-19(23)21-16-11-12-17(26-2)18(13-16)27(24,25)22-15-9-7-14(20)8-10-15/h3-13,22H,1-2H3,(H,21,23)/b4-3+,6-5+
InChIKeyHDCXFBAXKKTWJY-VNKDHWASSA-N
MW451.34 g/mol
LogP4.33
Rot. Bonds7

About (2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide

(2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide (PubChem CID 35745347) has the molecular formula C19H19BrN2O4S and a molecular weight of 451.34 g/mol. Its IUPAC name is (2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide
PubChem CID35745347
Molecular FormulaC19H19BrN2O4S
Molecular Weight451.34 g/mol
Exact Mass450.02
IUPAC Name(2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H19BrN2O4S/c1-3-4-5-6-19(23)21-16-11-12-17(26-2)18(13-16)27(24,25)22-15-9-7-14(20)8-10-15/h3-13,22H,1-2H3,(H,21,23)/b4-3+,6-5+
InChIKeyHDCXFBAXKKTWJY-VNKDHWASSA-N
XLogP4.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]furan-3-carboxamide
CID 25348399
(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 46489533
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710
N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
CID 61241779
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 39709166
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide (CID 35745347) is (2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of (2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide?
The InChIKey is HDCXFBAXKKTWJY-VNKDHWASSA-N. The full InChI is InChI=1S/C19H19BrN2O4S/c1-3-4-5-6-19(23)21-16-11-12-17(26-2)18(13-16)27(24,25)22-15-9-7-14(20)8-10-15/h3-13,22H,1-2H3,(H,21,23)/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide?
(2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide has a molecular weight of 451.34 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide is sourced from PubChem (CID 35745347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).