3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide

C22H23N3O3S — CID 20667034

IUPAC3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide
SMILESCC(Cc1ccc(NC(=O)c2cccc(N)c2)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H23N3O3S/c1-16(25-29(27,28)21-8-3-2-4-9-21)14-17-10-12-20(13-11-17)24-22(26)18-6-5-7-19(23)15-18/h2-13,15-16,25H,14,23H2,1H3,(H,24,26)
InChIKeyGHBPJSZSXUSRDO-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.43
Rot. Bonds7

About 3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide

3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide (PubChem CID 20667034) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide
PubChem CID20667034
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide
SMILESCC(Cc1ccc(NC(=O)c2cccc(N)c2)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H23N3O3S/c1-16(25-29(27,28)21-8-3-2-4-9-21)14-17-10-12-20(13-11-17)24-22(26)18-6-5-7-19(23)15-18/h2-13,15-16,25H,14,23H2,1H3,(H,24,26)
InChIKeyGHBPJSZSXUSRDO-UHFFFAOYSA-N
XLogP3.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 43710565
N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
CID 109062983
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
3-amino-N-(4-butan-2-ylphenyl)benzamide
CID 20667037
3-(methylsulfonylmethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188162
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 51566572
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
3-phenoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 8752814

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide?
The IUPAC name of 3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide (CID 20667034) is 3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide?
The canonical SMILES for 3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide is CC(Cc1ccc(NC(=O)c2cccc(N)c2)cc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide?
The InChIKey is GHBPJSZSXUSRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16(25-29(27,28)21-8-3-2-4-9-21)14-17-10-12-20(13-11-17)24-22(26)18-6-5-7-19(23)15-18/h2-13,15-16,25H,14,23H2,1H3,(H,24,26).
What are the key properties of 3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide?
3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide is sourced from PubChem (CID 20667034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).