4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide

C17H17ClN2O4S — CID 49027316

IUPAC4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C17H17ClN2O4S/c1-3-9-24-14-6-4-5-13(11-14)19-17(21)12-7-8-15(18)16(10-12)20-25(2,22)23/h3-8,10-11,20H,1,9H2,2H3,(H,19,21)
InChIKeyRDJFLKRSSYLXFR-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.53
Rot. Bonds7

About 4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide

4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 49027316) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID49027316
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C17H17ClN2O4S/c1-3-9-24-14-6-4-5-13(11-14)19-17(21)12-7-8-15(18)16(10-12)20-25(2,22)23/h3-8,10-11,20H,1,9H2,2H3,(H,19,21)
InChIKeyRDJFLKRSSYLXFR-UHFFFAOYSA-N
XLogP3.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
4-methylsulfinyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 86835440
6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide
CID 47380551
4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide
CID 49014176
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55992738
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide
CID 47071098
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide
CID 46764359
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide (CID 49027316) is 4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is RDJFLKRSSYLXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-3-9-24-14-6-4-5-13(11-14)19-17(21)12-7-8-15(18)16(10-12)20-25(2,22)23/h3-8,10-11,20H,1,9H2,2H3,(H,19,21).
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide?
4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 380.85 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 49027316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).