3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide

C17H20N2O4S — CID 109062201

IUPAC3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1cccc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C17H20N2O4S/c1-12(2)18-17(20)13-6-4-9-16(10-13)24(21,22)19-14-7-5-8-15(11-14)23-3/h4-12,19H,1-3H3,(H,18,20)
InChIKeyMYOXZKADAQAMKH-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.63
Rot. Bonds6

About 3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide

3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 109062201) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
PubChem CID109062201
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1cccc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C17H20N2O4S/c1-12(2)18-17(20)13-6-4-9-16(10-13)24(21,22)19-14-7-5-8-15(11-14)23-3/h4-12,19H,1-3H3,(H,18,20)
InChIKeyMYOXZKADAQAMKH-UHFFFAOYSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
N-cyclopropyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109062340
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27167566
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
N-cyclohexyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109063440
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide
CID 71454986
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 158643553

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide (CID 109062201) is 3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide is COc1cccc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is MYOXZKADAQAMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12(2)18-17(20)13-6-4-9-16(10-13)24(21,22)19-14-7-5-8-15(11-14)23-3/h4-12,19H,1-3H3,(H,18,20).
What are the key properties of 3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 109062201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).