2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide

C18H17ClF2N4O2S — CID 86849108

IUPAC2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCN(c2ccc(F)c(F)c2)C1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C18H17ClF2N4O2S/c19-17-18(25-7-2-1-3-16(25)23-17)28(26,27)22-10-12-6-8-24(11-12)13-4-5-14(20)15(21)9-13/h1-5,7,9,12,22H,6,8,10-11H2
InChIKeyYCSQPQPFJHSHPB-UHFFFAOYSA-N
MW426.88 g/mol
LogP3.07
Rot. Bonds5

About 2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide

2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 86849108) has the molecular formula C18H17ClF2N4O2S and a molecular weight of 426.88 g/mol. Its IUPAC name is 2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID86849108
Molecular FormulaC18H17ClF2N4O2S
Molecular Weight426.88 g/mol
Exact Mass426.07
IUPAC Name2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCN(c2ccc(F)c(F)c2)C1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C18H17ClF2N4O2S/c19-17-18(25-7-2-1-3-16(25)23-17)28(26,27)22-10-12-6-8-24(11-12)13-4-5-14(20)15(21)9-13/h1-5,7,9,12,22H,6,8,10-11H2
InChIKeyYCSQPQPFJHSHPB-UHFFFAOYSA-N
XLogP3.07
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide (CID 86849108) is 2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NCC1CCN(c2ccc(F)c(F)c2)C1)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is YCSQPQPFJHSHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O2S/c19-17-18(25-7-2-1-3-16(25)23-17)28(26,27)22-10-12-6-8-24(11-12)13-4-5-14(20)15(21)9-13/h1-5,7,9,12,22H,6,8,10-11H2.
What are the key properties of 2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 426.88 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 86849108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).