4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide

C16H17F2N3O3S — CID 47065211

IUPAC4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1C(N)=O
InChIInChI=1S/C16H17F2N3O3S/c1-20-9-13(7-15(20)16(19)22)25(23,24)21(12-4-5-12)8-10-2-3-11(17)6-14(10)18/h2-3,6-7,9,12H,4-5,8H2,1H3,(H2,19,22)
InChIKeyFEDXYCARNLVOJV-UHFFFAOYSA-N
MW369.39 g/mol
LogP1.76
Rot. Bonds6

About 4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 47065211) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID47065211
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC Name4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1C(N)=O
InChIInChI=1S/C16H17F2N3O3S/c1-20-9-13(7-15(20)16(19)22)25(23,24)21(12-4-5-12)8-10-2-3-11(17)6-14(10)18/h2-3,6-7,9,12H,4-5,8H2,1H3,(H2,19,22)
InChIKeyFEDXYCARNLVOJV-UHFFFAOYSA-N
XLogP1.76
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 47065211) is 4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1C(N)=O.
What is the InChIKey of 4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is FEDXYCARNLVOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-20-9-13(7-15(20)16(19)22)25(23,24)21(12-4-5-12)8-10-2-3-11(17)6-14(10)18/h2-3,6-7,9,12H,4-5,8H2,1H3,(H2,19,22).
What are the key properties of 4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(2,4-difluorophenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 47065211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).