2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide

C20H21ClN2O4S — CID 27537246

IUPAC2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C20H21ClN2O4S/c1-3-12-23(15-6-8-16(27-2)9-7-15)28(25,26)17-10-11-19(21)18(13-17)20(24)22-14-4-5-14/h3,6-11,13-14H,1,4-5,12H2,2H3,(H,22,24)
InChIKeyZKRWVELGZWZKRR-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.62
Rot. Bonds8

About 2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide

2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide (PubChem CID 27537246) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
PubChem CID27537246
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C20H21ClN2O4S/c1-3-12-23(15-6-8-16(27-2)9-7-15)28(25,26)17-10-11-19(21)18(13-17)20(24)22-14-4-5-14/h3,6-11,13-14H,1,4-5,12H2,2H3,(H,22,24)
InChIKeyZKRWVELGZWZKRR-UHFFFAOYSA-N
XLogP3.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(cyclopentylmethyl)-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 39211952
2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897023
N-benzyl-2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 17446439
2-chloro-N-(4-cyanophenyl)-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2340317
2-chloro-N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 27256751
[2-(dimethylamino)-2-oxoethyl] 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
CID 16537435
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
CID 55366522
ethyl 2-[[2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2415154
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
CID 27952865
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 55456823
2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 2375923
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 27537238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide (CID 27537246) is 2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide is C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide?
The InChIKey is ZKRWVELGZWZKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c1-3-12-23(15-6-8-16(27-2)9-7-15)28(25,26)17-10-11-19(21)18(13-17)20(24)22-14-4-5-14/h3,6-11,13-14H,1,4-5,12H2,2H3,(H,22,24).
What are the key properties of 2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide?
2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide has a molecular weight of 420.92 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide is sourced from PubChem (CID 27537246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).