4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide

C17H19F4N3O3S — CID 146384258

IUPAC4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide
SMILESCc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H](C)C(F)F)cn2C)c1CF
InChIInChI=1S/C17H19F4N3O3S/c1-9-12(7-18)14(5-4-13(9)19)22-17(25)15-6-11(8-24(15)3)28(26,27)23-10(2)16(20)21/h4-6,8,10,16,23H,7H2,1-3H3,(H,22,25)/t10-/m1/s1
InChIKeyDPTPJTZWDUWUST-SNVBAGLBSA-N
MW421.42 g/mol
LogP3.13
Rot. Bonds7

About 4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide

4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 146384258) has the molecular formula C17H19F4N3O3S and a molecular weight of 421.42 g/mol. Its IUPAC name is 4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide
PubChem CID146384258
Molecular FormulaC17H19F4N3O3S
Molecular Weight421.42 g/mol
Exact Mass421.11
IUPAC Name4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide
SMILESCc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H](C)C(F)F)cn2C)c1CF
InChIInChI=1S/C17H19F4N3O3S/c1-9-12(7-18)14(5-4-13(9)19)22-17(25)15-6-11(8-24(15)3)28(26,27)23-10(2)16(20)21/h4-6,8,10,16,23H,7H2,1-3H3,(H,22,25)/t10-/m1/s1
InChIKeyDPTPJTZWDUWUST-SNVBAGLBSA-N
XLogP3.13
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2,3,4-trifluorophenyl)-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294965
N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 159175155
N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16779951
N-(3-bromo-4-fluorophenyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294938
4-(butan-2-ylsulfamoyl)-N-(3-cyano-4-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 123773962
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115754747
N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16780731
N-(3-bromo-4,5-difluorophenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 162030369
N-(3-cyano-2,4-difluorophenyl)-1-methyl-4-[(2S)-3,3,3-trifluoro-2-methylpropyl]sulfonylpyrrole-2-carboxamide;sulfane
CID 160574461
N-(2-hydroxyethyl)-1-methyl-4-(methylsulfamoyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 43573443
N-(4-chloro-2-fluorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087240
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-4-[[(2R)-1,1,1-trifluorobut-3-yn-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 162546522

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide (CID 146384258) is 4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide is Cc1c(F)ccc(NC(=O)c2cc(S(=O)(=O)N[C@H](C)C(F)F)cn2C)c1CF.
What is the InChIKey of 4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is DPTPJTZWDUWUST-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19F4N3O3S/c1-9-12(7-18)14(5-4-13(9)19)22-17(25)15-6-11(8-24(15)3)28(26,27)23-10(2)16(20)21/h4-6,8,10,16,23H,7H2,1-3H3,(H,22,25)/t10-/m1/s1.
What are the key properties of 4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide?
4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 146384258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).