2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

C20H23ClN2O4S — CID 56503413

IUPAC2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CC3CCCO3)c2)c1
InChIInChI=1S/C20H23ClN2O4S/c1-14-5-3-6-15(11-14)22-28(25,26)17-8-9-19(21)18(12-17)20(24)23(2)13-16-7-4-10-27-16/h3,5-6,8-9,11-12,16,22H,4,7,10,13H2,1-2H3
InChIKeySWUIUDBCPMWGIJ-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.70
Rot. Bonds6

About 2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 56503413) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID56503413
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CC3CCCO3)c2)c1
InChIInChI=1S/C20H23ClN2O4S/c1-14-5-3-6-15(11-14)22-28(25,26)17-8-9-19(21)18(12-17)20(24)23(2)13-16-7-4-10-27-16/h3,5-6,8-9,11-12,16,22H,4,7,10,13H2,1-2H3
InChIKeySWUIUDBCPMWGIJ-UHFFFAOYSA-N
XLogP3.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56503283
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 42992216
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 56504178
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2083754
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423
2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 75376807
N-(2-cyanoethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxan-4-yl)benzamide
CID 56572383
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
[(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate
CID 25331653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (CID 56503413) is 2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CC3CCCO3)c2)c1.
What is the InChIKey of 2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is SWUIUDBCPMWGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-5-3-6-15(11-14)22-28(25,26)17-8-9-19(21)18(12-17)20(24)23(2)13-16-7-4-10-27-16/h3,5-6,8-9,11-12,16,22H,4,7,10,13H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 422.93 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 56503413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).