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

C19H19F2N3O5S — CID 26846700

IUPAC4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)ccc1OC(F)F
InChIInChI=1S/C19H19F2N3O5S/c1-28-16-10-12(7-8-15(16)29-19(20)21)18(25)23-13-4-2-5-14(11-13)30(26,27)24-17-6-3-9-22-17/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyXMGPNHYZAVVWSR-UHFFFAOYSA-N
MW439.44 g/mol
LogP3.02
Rot. Bonds7

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

4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide (PubChem CID 26846700) has the molecular formula C19H19F2N3O5S and a molecular weight of 439.44 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide
PubChem CID26846700
Molecular FormulaC19H19F2N3O5S
Molecular Weight439.44 g/mol
Exact Mass439.10
IUPAC Name4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)ccc1OC(F)F
InChIInChI=1S/C19H19F2N3O5S/c1-28-16-10-12(7-8-15(16)29-19(20)21)18(25)23-13-4-2-5-14(11-13)30(26,27)24-17-6-3-9-22-17/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyXMGPNHYZAVVWSR-UHFFFAOYSA-N
XLogP3.02
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
CID 17497520
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-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide
CID 9072147
4-ethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 26856308
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
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-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 25162510
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide (CID 26846700) is 4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide is COc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide?
The InChIKey is XMGPNHYZAVVWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O5S/c1-28-16-10-12(7-8-15(16)29-19(20)21)18(25)23-13-4-2-5-14(11-13)30(26,27)24-17-6-3-9-22-17/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide has a molecular weight of 439.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 26846700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).