(2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C17H20ClN3O3S — CID 129327879

IUPAC(2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H]3CCc4nccn4C3)cc(Cl)c2O1
InChIInChI=1S/C17H20ClN3O3S/c1-11-6-13-7-14(8-15(18)17(13)24-11)25(22,23)20-9-12-2-3-16-19-4-5-21(16)10-12/h4-5,7-8,11-12,20H,2-3,6,9-10H2,1H3/t11-,12+/m1/s1
InChIKeyAMSWHPIGFORENG-NEPJUHHUSA-N
MW381.89 g/mol
LogP2.40
Rot. Bonds4

About (2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

(2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 129327879) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is (2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name(2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID129327879
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name(2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H]3CCc4nccn4C3)cc(Cl)c2O1
InChIInChI=1S/C17H20ClN3O3S/c1-11-6-13-7-14(8-15(18)17(13)24-11)25(22,23)20-9-12-2-3-16-19-4-5-21(16)10-12/h4-5,7-8,11-12,20H,2-3,6,9-10H2,1H3/t11-,12+/m1/s1
InChIKeyAMSWHPIGFORENG-NEPJUHHUSA-N
XLogP2.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

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Related Compounds

7-chloro-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128995589
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128966223
4-chloro-3-cyano-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide
CID 129338183
(2S)-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129342004
7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119968788
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 128995583
3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129340913
N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119988501
5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide
CID 128965320
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide
CID 128995590
[1-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
CID 119972287
(2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide
CID 129472884

Frequently Asked Questions

What is the IUPAC name of (2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of (2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 129327879) is (2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for (2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for (2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H]3CCc4nccn4C3)cc(Cl)c2O1.
What is the InChIKey of (2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is AMSWHPIGFORENG-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-11-6-13-7-14(8-15(18)17(13)24-11)25(22,23)20-9-12-2-3-16-19-4-5-21(16)10-12/h4-5,7-8,11-12,20H,2-3,6,9-10H2,1H3/t11-,12+/m1/s1.
What are the key properties of (2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
(2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 381.89 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 129327879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).