2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide

C19H23ClN2O4S — CID 43006083

IUPAC2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl
InChIInChI=1S/C19H23ClN2O4S/c1-12-5-6-15(9-13(12)2)22-27(24,25)16-7-8-18(20)17(10-16)19(23)21-14(3)11-26-4/h5-10,14,22H,11H2,1-4H3,(H,21,23)
InChIKeyONYSOLOXCTXLDE-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.52
Rot. Bonds7

About 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide

2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 43006083) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
PubChem CID43006083
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl
InChIInChI=1S/C19H23ClN2O4S/c1-12-5-6-15(9-13(12)2)22-27(24,25)16-7-8-18(20)17(10-16)19(23)21-14(3)11-26-4/h5-10,14,22H,11H2,1-4H3,(H,21,23)
InChIKeyONYSOLOXCTXLDE-UHFFFAOYSA-N
XLogP3.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
N-(1-methoxypropan-2-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 42938964
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009499
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778075
N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 51160726
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 31855172
5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 92647091
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
N-[(2S)-1-aminopropan-2-yl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 120505929

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide (CID 43006083) is 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is ONYSOLOXCTXLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-12-5-6-15(9-13(12)2)22-27(24,25)16-7-8-18(20)17(10-16)19(23)21-14(3)11-26-4/h5-10,14,22H,11H2,1-4H3,(H,21,23).
What are the key properties of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide?
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 410.92 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 43006083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).