N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

C16H17F2N3O4S — CID 121294822

IUPACN-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NC2CC(O)C2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N3O4S/c1-21-8-12(26(24,25)20-10-4-11(22)5-10)7-15(21)16(23)19-9-2-3-13(17)14(18)6-9/h2-3,6-8,10-11,20,22H,4-5H2,1H3,(H,19,23)
InChIKeyVZIHQCAQKZUMJA-UHFFFAOYSA-N
MW385.39 g/mol
LogP1.36
Rot. Bonds5

About N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 121294822) has the molecular formula C16H17F2N3O4S and a molecular weight of 385.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID121294822
Molecular FormulaC16H17F2N3O4S
Molecular Weight385.39 g/mol
Exact Mass385.09
IUPAC NameN-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NC2CC(O)C2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N3O4S/c1-21-8-12(26(24,25)20-10-4-11(22)5-10)7-15(21)16(23)19-9-2-3-13(17)14(18)6-9/h2-3,6-8,10-11,20,22H,4-5H2,1H3,(H,19,23)
InChIKeyVZIHQCAQKZUMJA-UHFFFAOYSA-N
XLogP1.36
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-3-methylphenyl)-4-[(3-hydroxycyclobutyl)methylsulfonyl]-1-methylpyrrole-2-carboxamide
CID 149029187
N-(3,4-difluorophenyl)-4-[(8-hydroxy-8-methyl-3-bicyclo[3.2.1]octanyl)sulfonyl]-1-methylpyrrole-2-carboxamide
CID 130402084
N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide
CID 151709957
N-(3-bromo-4-fluorophenyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294938
N-(3,4-difluorophenyl)-3-fluoro-4-[(4-hydroxyoxolan-3-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 146336928
N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 159175155
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-4-[[(2R)-1,1,1-trifluorobut-3-yn-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 162546522
N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 126493643
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
4-(butan-2-ylsulfamoyl)-N-(3-cyano-4-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 123773962
4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
CID 17481631
N-(3,4-difluorophenyl)-4-[[(5S)-8-hydroxy-8-methyl-3-bicyclo[3.2.1]octanyl]sulfanyl]-1-methylpyrrole-2-carboxamide
CID 130402521

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 121294822) is N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)NC2CC(O)C2)cc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is VZIHQCAQKZUMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O4S/c1-21-8-12(26(24,25)20-10-4-11(22)5-10)7-15(21)16(23)19-9-2-3-13(17)14(18)6-9/h2-3,6-8,10-11,20,22H,4-5H2,1H3,(H,19,23).
What are the key properties of N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 121294822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).