2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide

C18H21ClN2O4S — CID 100715266

IUPAC2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C18H21ClN2O4S/c1-12(2)11-20-18(22)14-6-4-5-7-15(14)21-26(23,24)17-10-13(19)8-9-16(17)25-3/h4-10,12,21H,11H2,1-3H3,(H,20,22)
InChIKeyOWGFDRVWOVRZNY-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.54
Rot. Bonds7

About 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide

2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide (PubChem CID 100715266) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
PubChem CID100715266
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C18H21ClN2O4S/c1-12(2)11-20-18(22)14-6-4-5-7-15(14)21-26(23,24)17-10-13(19)8-9-16(17)25-3/h4-10,12,21H,11H2,1-3H3,(H,20,22)
InChIKeyOWGFDRVWOVRZNY-UHFFFAOYSA-N
XLogP3.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 31324729
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126139167
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 26268702
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 133228042
5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 51557476
2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 51170213
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824572

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide (CID 100715266) is 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(C)C.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is OWGFDRVWOVRZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12(2)11-20-18(22)14-6-4-5-7-15(14)21-26(23,24)17-10-13(19)8-9-16(17)25-3/h4-10,12,21H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 100715266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).