3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide

C22H29ClN2O4S — CID 55584298

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)C(C)CC(C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O4S/c1-15(2)12-16(3)25(4)22(26)18-8-11-20(29-5)21(13-18)30(27,28)24-14-17-6-9-19(23)10-7-17/h6-11,13,15-16,24H,12,14H2,1-5H3
InChIKeyIIUOIDCYAYMBRF-UHFFFAOYSA-N
MW453.00 g/mol
LogP4.33
Rot. Bonds9

About 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide

3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide (PubChem CID 55584298) has the molecular formula C22H29ClN2O4S and a molecular weight of 453.00 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
PubChem CID55584298
Molecular FormulaC22H29ClN2O4S
Molecular Weight453.00 g/mol
Exact Mass452.15
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)C(C)CC(C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O4S/c1-15(2)12-16(3)25(4)22(26)18-8-11-20(29-5)21(13-18)30(27,28)24-14-17-6-9-19(23)10-7-17/h6-11,13,15-16,24H,12,14H2,1-5H3
InChIKeyIIUOIDCYAYMBRF-UHFFFAOYSA-N
XLogP4.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.00
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55841887
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
CID 55306794
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 55438061
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 55387001
3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55599647
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide (CID 55584298) is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide is COc1ccc(C(=O)N(C)C(C)CC(C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is IIUOIDCYAYMBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O4S/c1-15(2)12-16(3)25(4)22(26)18-8-11-20(29-5)21(13-18)30(27,28)24-14-17-6-9-19(23)10-7-17/h6-11,13,15-16,24H,12,14H2,1-5H3.
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 453.00 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 55584298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).