N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide

C20H22N4O5S2 — CID 31528464

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1
InChIInChI=1S/C20H22N4O5S2/c1-2-12-22-30(26,27)17-10-8-15(9-11-17)20(25)23-16-5-3-6-18(14-16)31(28,29)24-19-7-4-13-21-19/h2-3,5-6,8-11,14,22H,1,4,7,12-13H2,(H,21,24)(H,23,25)
InChIKeyPWCQKWGOZPDQNF-UHFFFAOYSA-N
MW462.55 g/mol
LogP1.87
Rot. Bonds8

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 31528464) has the molecular formula C20H22N4O5S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID31528464
Molecular FormulaC20H22N4O5S2
Molecular Weight462.55 g/mol
Exact Mass462.10
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1
InChIInChI=1S/C20H22N4O5S2/c1-2-12-22-30(26,27)17-10-8-15(9-11-17)20(25)23-16-5-3-6-18(14-16)31(28,29)24-19-7-4-13-21-19/h2-3,5-6,8-11,14,22H,1,4,7,12-13H2,(H,21,24)(H,23,25)
InChIKeyPWCQKWGOZPDQNF-UHFFFAOYSA-N
XLogP1.87
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 55577334
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 4790576
4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813935
4-ethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 26856308
4-(dimethylsulfamoyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 24645853
2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide
CID 24514431
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide
CID 60583682
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
CID 60574245
1-(4-acetylphenyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]thiourea
CID 3602003
4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 31528464) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is PWCQKWGOZPDQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S2/c1-2-12-22-30(26,27)17-10-8-15(9-11-17)20(25)23-16-5-3-6-18(14-16)31(28,29)24-19-7-4-13-21-19/h2-3,5-6,8-11,14,22H,1,4,7,12-13H2,(H,21,24)(H,23,25).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 462.55 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 31528464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).