N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide

C18H19FN4O4S2 — CID 175590529

IUPACN-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide
SMILESCNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C18H19FN4O4S2/c1-20-9-13-7-18(16-5-3-4-6-17(16)19)23(12-13)29(26,27)15-8-14(10-21-11-15)22-28(2,24)25/h3-8,10-12,20,22H,9H2,1-2H3
InChIKeyUVGOKMGVFIOETB-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.02
Rot. Bonds7

About N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide

N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide (PubChem CID 175590529) has the molecular formula C18H19FN4O4S2 and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide
PubChem CID175590529
Molecular FormulaC18H19FN4O4S2
Molecular Weight438.51 g/mol
Exact Mass438.08
IUPAC NameN-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide
SMILESCNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C18H19FN4O4S2/c1-20-9-13-7-18(16-5-3-4-6-17(16)19)23(12-13)29(26,27)15-8-14(10-21-11-15)22-28(2,24)25/h3-8,10-12,20,22H,9H2,1-2H3
InChIKeyUVGOKMGVFIOETB-UHFFFAOYSA-N
XLogP2.02
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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1-(3,4-Difluoro-benzenesulfonyl)-3-piperidin-3-yl-1H-indole
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N-(2-fluoro-5-indol-1-ylsulfonylphenyl)-1-methylpiperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide (CID 175590529) is N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide is CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(NS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide?
The InChIKey is UVGOKMGVFIOETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S2/c1-20-9-13-7-18(16-5-3-4-6-17(16)19)23(12-13)29(26,27)15-8-14(10-21-11-15)22-28(2,24)25/h3-8,10-12,20,22H,9H2,1-2H3.
What are the key properties of N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide?
N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide has a molecular weight of 438.51 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 175590529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).