3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide

C18H21ClN2O4S — CID 26578598

IUPAC3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H21ClN2O4S/c1-18(2,3)21-26(23,24)16-10-12(8-9-15(16)25-4)17(22)20-14-7-5-6-13(19)11-14/h5-11,21H,1-4H3,(H,20,22)
InChIKeyBKLHSTKVVCXUNW-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.68
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide

3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide (PubChem CID 26578598) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
PubChem CID26578598
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H21ClN2O4S/c1-18(2,3)21-26(23,24)16-10-12(8-9-15(16)25-4)17(22)20-14-7-5-6-13(19)11-14/h5-11,21H,1-4H3,(H,20,22)
InChIKeyBKLHSTKVVCXUNW-UHFFFAOYSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178
N-(3-chlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892378
3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 43003256
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide
CID 56516978
methyl 3-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]amino]benzoate
CID 2529890
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
3-(tert-butylsulfamoyl)-N-(9H-fluoren-2-yl)-4-methoxybenzamide
CID 26889796
3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55987169
4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 11977548
N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 18147880
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742199

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide (CID 26578598) is 3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide?
The InChIKey is BKLHSTKVVCXUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-18(2,3)21-26(23,24)16-10-12(8-9-15(16)25-4)17(22)20-14-7-5-6-13(19)11-14/h5-11,21H,1-4H3,(H,20,22).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide?
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide has a molecular weight of 396.90 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide is sourced from PubChem (CID 26578598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).