4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide

C15H17F2N3O5S — CID 55564863

IUPAC4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1OC(F)F
InChIInChI=1S/C15H17F2N3O5S/c1-20-8-10(6-11(20)14(18)21)26(22,23)19-7-9-3-4-12(25-15(16)17)13(5-9)24-2/h3-6,8,15,19H,7H2,1-2H3,(H2,18,21)
InChIKeyYREATROJOYTSKU-UHFFFAOYSA-N
MW389.38 g/mol
LogP1.21
Rot. Bonds8

About 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide

4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 55564863) has the molecular formula C15H17F2N3O5S and a molecular weight of 389.38 g/mol. Its IUPAC name is 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID55564863
Molecular FormulaC15H17F2N3O5S
Molecular Weight389.38 g/mol
Exact Mass389.09
IUPAC Name4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1OC(F)F
InChIInChI=1S/C15H17F2N3O5S/c1-20-8-10(6-11(20)14(18)21)26(22,23)19-7-9-3-4-12(25-15(16)17)13(5-9)24-2/h3-6,8,15,19H,7H2,1-2H3,(H2,18,21)
InChIKeyYREATROJOYTSKU-UHFFFAOYSA-N
XLogP1.21
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 39624112
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31553898
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9189287
4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide
CID 8817900
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578966
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide
CID 61212743
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide
CID 9189230
N-[(3,4-dimethoxyphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 138550874
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106126603
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide (CID 55564863) is 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide is COc1cc(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1OC(F)F.
What is the InChIKey of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is YREATROJOYTSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O5S/c1-20-8-10(6-11(20)14(18)21)26(22,23)19-7-9-3-4-12(25-15(16)17)13(5-9)24-2/h3-6,8,15,19H,7H2,1-2H3,(H2,18,21).
What are the key properties of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55564863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).