2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide

C17H17ClN2O4S — CID 46764359

IUPAC2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-3-10-24-14-7-4-12(5-8-14)19-17(21)15-11-13(6-9-16(15)18)20-25(2,22)23/h3-9,11,20H,1,10H2,2H3,(H,19,21)
InChIKeyKTJAHQUTRFSMST-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.53
Rot. Bonds7

About 2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide

2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide (PubChem CID 46764359) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide
PubChem CID46764359
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-3-10-24-14-7-4-12(5-8-14)19-17(21)15-11-13(6-9-16(15)18)20-25(2,22)23/h3-9,11,20H,1,10H2,2H3,(H,19,21)
InChIKeyKTJAHQUTRFSMST-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

N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-5-(methanesulfonamido)benzamide
CID 99959560
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 93487152
4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 49027316
2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide
CID 28631283
methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
CID 38015776
2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
CID 53283791
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide
CID 1118900

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide (CID 46764359) is 2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide is C=CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide?
The InChIKey is KTJAHQUTRFSMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-3-10-24-14-7-4-12(5-8-14)19-17(21)15-11-13(6-9-16(15)18)20-25(2,22)23/h3-9,11,20H,1,10H2,2H3,(H,19,21).
What are the key properties of 2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide?
2-chloro-5-(methanesulfonamido)-N-(4-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 2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 46764359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).