2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide

C21H27ClN2O4S — CID 55887552

IUPAC2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl
InChIInChI=1S/C21H27ClN2O4S/c1-13(2)24(6)29(26,27)17-8-9-19(22)18(12-17)21(25)23-20-10-7-16(11-15(20)5)28-14(3)4/h7-14H,1-6H3,(H,23,25)
InChIKeyPFPFODPJGCCZJM-UHFFFAOYSA-N
MW438.98 g/mol
LogP4.72
Rot. Bonds7

About 2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide

2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 55887552) has the molecular formula C21H27ClN2O4S and a molecular weight of 438.98 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID55887552
Molecular FormulaC21H27ClN2O4S
Molecular Weight438.98 g/mol
Exact Mass438.14
IUPAC Name2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl
InChIInChI=1S/C21H27ClN2O4S/c1-13(2)24(6)29(26,27)17-8-9-19(22)18(12-17)21(25)23-20-10-7-16(11-15(20)5)28-14(3)4/h7-14H,1-6H3,(H,23,25)
InChIKeyPFPFODPJGCCZJM-UHFFFAOYSA-N
XLogP4.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.98
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-4-propan-2-yloxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55888323
2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55345679
2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55332147
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55340947
2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 16551413
2-chloro-N-(4,6-dimethyl-2-pyridinyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 75469577
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 51286285
2-chloro-N-(3-hydroxypropyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78854298
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide
CID 78885098
N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46550803
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 55780312
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887044

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 55887552) is 2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide is Cc1cc(OC(C)C)ccc1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is PFPFODPJGCCZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4S/c1-13(2)24(6)29(26,27)17-8-9-19(22)18(12-17)21(25)23-20-10-7-16(11-15(20)5)28-14(3)4/h7-14H,1-6H3,(H,23,25).
What are the key properties of 2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 438.98 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 55887552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).