N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide

C22H21N3O3S — CID 18278951

IUPACN-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O3S/c1-2-16-23-29(27,28)21-14-8-17(9-15-21)22(26)25-20-12-10-19(11-13-20)24-18-6-4-3-5-7-18/h2-15,23-24H,1,16H2,(H,25,26)
InChIKeyRPGGMJYBLSJLET-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.15
Rot. Bonds8

About N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide

N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 18278951) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID18278951
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O3S/c1-2-16-23-29(27,28)21-14-8-17(9-15-21)22(26)25-20-12-10-19(11-13-20)24-18-6-4-3-5-7-18/h2-15,23-24H,1,16H2,(H,25,26)
InChIKeyRPGGMJYBLSJLET-UHFFFAOYSA-N
XLogP4.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 2989337
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 19258102
N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 17473471
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258065

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide (CID 18278951) is N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is RPGGMJYBLSJLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-2-16-23-29(27,28)21-14-8-17(9-15-21)22(26)25-20-12-10-19(11-13-20)24-18-6-4-3-5-7-18/h2-15,23-24H,1,16H2,(H,25,26).
What are the key properties of N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 407.50 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 18278951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).