N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide

C17H18N2O3S — CID 154760114

IUPACN-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c1-3-17(20)19(2)13-14-8-7-9-15(12-14)18-23(21,22)16-10-5-4-6-11-16/h3-12,18H,1,13H2,2H3
InChIKeyBKRJCARETGTJGL-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.63
Rot. Bonds6

About N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide

N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide (PubChem CID 154760114) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide
PubChem CID154760114
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c1-3-17(20)19(2)13-14-8-7-9-15(12-14)18-23(21,22)16-10-5-4-6-11-16/h3-12,18H,1,13H2,2H3
InChIKeyBKRJCARETGTJGL-UHFFFAOYSA-N
XLogP2.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 24660209
N-(3-benzylphenyl)benzenesulfonamide
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3-(benzenesulfonamido)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86976169
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
3-(benzenesulfonamido)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38745291
N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide
CID 119931204
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 141178655
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
3-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 55982363
N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
CID 55706016
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197

Frequently Asked Questions

What is the IUPAC name of N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide?
The IUPAC name of N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide (CID 154760114) is N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide is C=CC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide?
The InChIKey is BKRJCARETGTJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-17(20)19(2)13-14-8-7-9-15(12-14)18-23(21,22)16-10-5-4-6-11-16/h3-12,18H,1,13H2,2H3.
What are the key properties of N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide?
N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide has a molecular weight of 330.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 154760114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).