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

C19H20BrN3O5S — CID 17497520

IUPAC4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc(OC)c1Br
InChIInChI=1S/C19H20BrN3O5S/c1-27-15-9-12(10-16(28-2)18(15)20)19(24)22-13-5-3-6-14(11-13)29(25,26)23-17-7-4-8-21-17/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIPSLJGPTNWKLRS-UHFFFAOYSA-N
MW482.36 g/mol
LogP3.19
Rot. Bonds6

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

4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 17497520) has the molecular formula C19H20BrN3O5S and a molecular weight of 482.36 g/mol. Its IUPAC name is 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
PubChem CID17497520
Molecular FormulaC19H20BrN3O5S
Molecular Weight482.36 g/mol
Exact Mass481.03
IUPAC Name4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc(OC)c1Br
InChIInChI=1S/C19H20BrN3O5S/c1-27-15-9-12(10-16(28-2)18(15)20)19(24)22-13-5-3-6-14(11-13)29(25,26)23-17-7-4-8-21-17/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIPSLJGPTNWKLRS-UHFFFAOYSA-N
XLogP3.19
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-methoxybenzamide
CID 9117099
5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 26901878
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 4790576
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
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 55350690
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylbut-2-enamide
CID 30877296
4-prop-2-enoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 55577334
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18208046
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 31528464

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide (CID 17497520) is 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is IPSLJGPTNWKLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O5S/c1-27-15-9-12(10-16(28-2)18(15)20)19(24)22-13-5-3-6-14(11-13)29(25,26)23-17-7-4-8-21-17/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 482.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17497520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).