5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide

C18H18ClN3O4S — CID 26901878

IUPAC5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C18H18ClN3O4S/c1-26-16-8-7-12(19)10-15(16)18(23)21-13-4-2-5-14(11-13)27(24,25)22-17-6-3-9-20-17/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyZZSREBKLGFRNLF-UHFFFAOYSA-N
MW407.88 g/mol
LogP3.07
Rot. Bonds5

About 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide

5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide (PubChem CID 26901878) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
PubChem CID26901878
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C18H18ClN3O4S/c1-26-16-8-7-12(19)10-15(16)18(23)21-13-4-2-5-14(11-13)27(24,25)22-17-6-3-9-20-17/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyZZSREBKLGFRNLF-UHFFFAOYSA-N
XLogP3.07
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 9117099
4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
CID 17497520
4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide
CID 26846700
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 25162510
1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39298461
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 55350690
2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide
CID 42905606
2-chloro-6-fluoro-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 36887209
1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 17489909
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylbut-2-enamide
CID 30877296
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 4833277
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 4790576

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide (CID 26901878) is 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1.
What is the InChIKey of 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide?
The InChIKey is ZZSREBKLGFRNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-26-16-8-7-12(19)10-15(16)18(23)21-13-4-2-5-14(11-13)27(24,25)22-17-6-3-9-20-17/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide?
5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide has a molecular weight of 407.88 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 26901878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).