3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide

C15H15ClF4N4O3S — CID 118302142

IUPAC3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
SMILESCc1nccc(NC(=O)c2c(Cl)c(S(=O)(=O)N[C@H](C)C(F)(F)F)cn2C)c1F
InChIInChI=1S/C15H15ClF4N4O3S/c1-7-12(17)9(4-5-21-7)22-14(25)13-11(16)10(6-24(13)3)28(26,27)23-8(2)15(18,19)20/h4-6,8,23H,1-3H3,(H,21,22,25)/t8-/m1/s1
InChIKeyQSBGYYKIHDRIBL-MRVPVSSYSA-N
MW442.82 g/mol
LogP3.00
Rot. Bonds5

About 3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide

3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide (PubChem CID 118302142) has the molecular formula C15H15ClF4N4O3S and a molecular weight of 442.82 g/mol. Its IUPAC name is 3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
PubChem CID118302142
Molecular FormulaC15H15ClF4N4O3S
Molecular Weight442.82 g/mol
Exact Mass442.05
IUPAC Name3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
SMILESCc1nccc(NC(=O)c2c(Cl)c(S(=O)(=O)N[C@H](C)C(F)(F)F)cn2C)c1F
InChIInChI=1S/C15H15ClF4N4O3S/c1-7-12(17)9(4-5-21-7)22-14(25)13-11(16)10(6-24(13)3)28(26,27)23-8(2)15(18,19)20/h4-6,8,23H,1-3H3,(H,21,22,25)/t8-/m1/s1
InChIKeyQSBGYYKIHDRIBL-MRVPVSSYSA-N
XLogP3.00
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.82
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide (CID 118302142) is 3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide is Cc1nccc(NC(=O)c2c(Cl)c(S(=O)(=O)N[C@H](C)C(F)(F)F)cn2C)c1F.
What is the InChIKey of 3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is QSBGYYKIHDRIBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H15ClF4N4O3S/c1-7-12(17)9(4-5-21-7)22-14(25)13-11(16)10(6-24(13)3)28(26,27)23-8(2)15(18,19)20/h4-6,8,23H,1-3H3,(H,21,22,25)/t8-/m1/s1.
What are the key properties of 3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 442.82 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 118302142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).