3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide

C22H20N2O4S — CID 30858539

IUPAC3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C22H20N2O4S/c25-22(16-5-4-8-21(15-16)29(26,27)24-18-9-10-18)23-17-11-13-20(14-12-17)28-19-6-2-1-3-7-19/h1-8,11-15,18,24H,9-10H2,(H,23,25)
InChIKeyQPDRNMCADZBGGX-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.17
Rot. Bonds7

About 3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide

3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide (PubChem CID 30858539) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
PubChem CID30858539
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C22H20N2O4S/c25-22(16-5-4-8-21(15-16)29(26,27)24-18-9-10-18)23-17-11-13-20(14-12-17)28-19-6-2-1-3-7-19/h1-8,11-15,18,24H,9-10H2,(H,23,25)
InChIKeyQPDRNMCADZBGGX-UHFFFAOYSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55787755
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
CID 30860784
4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
CID 6981857
S-[4-[[3-(cyclopropylsulfamoyl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529932
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate
CID 55871864

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide (CID 30858539) is 3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide?
The InChIKey is QPDRNMCADZBGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c25-22(16-5-4-8-21(15-16)29(26,27)24-18-9-10-18)23-17-11-13-20(14-12-17)28-19-6-2-1-3-7-19/h1-8,11-15,18,24H,9-10H2,(H,23,25).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide?
3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide has a molecular weight of 408.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 30858539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).