N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide

C17H15F2N3O2S — CID 90570047

IUPACN-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1F)N(Cc1cnc2ccccn12)C1CC1
InChIInChI=1S/C17H15F2N3O2S/c18-12-4-7-16(15(19)9-12)25(23,24)22(13-5-6-13)11-14-10-20-17-3-1-2-8-21(14)17/h1-4,7-10,13H,5-6,11H2
InChIKeyDGFUWLIHWQRPTF-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.97
Rot. Bonds5

About N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide

N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 90570047) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID90570047
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC NameN-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1F)N(Cc1cnc2ccccn12)C1CC1
InChIInChI=1S/C17H15F2N3O2S/c18-12-4-7-16(15(19)9-12)25(23,24)22(13-5-6-13)11-14-10-20-17-3-1-2-8-21(14)17/h1-4,7-10,13H,5-6,11H2
InChIKeyDGFUWLIHWQRPTF-UHFFFAOYSA-N
XLogP2.97
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide (CID 90570047) is N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1F)N(Cc1cnc2ccccn12)C1CC1.
What is the InChIKey of N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is DGFUWLIHWQRPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c18-12-4-7-16(15(19)9-12)25(23,24)22(13-5-6-13)11-14-10-20-17-3-1-2-8-21(14)17/h1-4,7-10,13H,5-6,11H2.
What are the key properties of N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide?
N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 363.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 90570047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).