N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide

C14H16N2O3S — CID 135224786

IUPACN-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide
SMILESC=C/C=C(\C=C/C)NS(=O)(=O)c1ccc(NC=O)cc1
InChIInChI=1S/C14H16N2O3S/c1-3-5-13(6-4-2)16-20(18,19)14-9-7-12(8-10-14)15-11-17/h3-11,16H,1H2,2H3,(H,15,17)/b6-4-,13-5+
InChIKeyCGSLTXXNNLWHGP-GLRUQPRCSA-N
MW292.36 g/mol
LogP2.18
Rot. Bonds7

About N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide

N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide (PubChem CID 135224786) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide
PubChem CID135224786
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide
SMILESC=C/C=C(\C=C/C)NS(=O)(=O)c1ccc(NC=O)cc1
InChIInChI=1S/C14H16N2O3S/c1-3-5-13(6-4-2)16-20(18,19)14-9-7-12(8-10-14)15-11-17/h3-11,16H,1H2,2H3,(H,15,17)/b6-4-,13-5+
InChIKeyCGSLTXXNNLWHGP-GLRUQPRCSA-N
XLogP2.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(hydroxysulfamoyl)phenyl]formamide
CID 89316747
N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide
CID 142835485
4-bromo-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline;ethane
CID 142614749
4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene-1,4-diamine
CID 174248166
ethane;4-methyl-N-[(4E)-2-oxo-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]benzenesulfonamide
CID 143418576
ethane;N-(4-ethenylphenyl)formamide
CID 143911440
N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide
CID 86223974
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143724474
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]formamide
CID 168652188
tert-butyl N-(4-formamidophenyl)sulfonyl-N-(trideuteriomethyl)carbamate
CID 155654406
ethane;N-(4-methylphenyl)formamide
CID 142066401

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide?
The IUPAC name of N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide (CID 135224786) is N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide.
What is the SMILES notation for N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide?
The canonical SMILES for N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide is C=C/C=C(\C=C/C)NS(=O)(=O)c1ccc(NC=O)cc1.
What is the InChIKey of N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide?
The InChIKey is CGSLTXXNNLWHGP-GLRUQPRCSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-5-13(6-4-2)16-20(18,19)14-9-7-12(8-10-14)15-11-17/h3-11,16H,1H2,2H3,(H,15,17)/b6-4-,13-5+.
What are the key properties of N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide?
N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide has a molecular weight of 292.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide is sourced from PubChem (CID 135224786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).