6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide

C16H17ClN4O4S — CID 129328655

IUPAC6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
SMILESO=C1COc2cc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)c(Cl)cc2N1
InChIInChI=1S/C16H17ClN4O4S/c17-11-6-12-13(25-9-16(22)20-12)7-14(11)26(23,24)19-8-10-1-3-21-4-2-18-15(21)5-10/h2,4,6-7,10,19H,1,3,5,8-9H2,(H,20,22)/t10-/m1/s1
InChIKeyBYRUBNICOYVBSX-SNVBAGLBSA-N
MW396.86 g/mol
LogP1.41
Rot. Bonds4

About 6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide

6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 129328655) has the molecular formula C16H17ClN4O4S and a molecular weight of 396.86 g/mol. Its IUPAC name is 6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID129328655
Molecular FormulaC16H17ClN4O4S
Molecular Weight396.86 g/mol
Exact Mass396.07
IUPAC Name6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
SMILESO=C1COc2cc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)c(Cl)cc2N1
InChIInChI=1S/C16H17ClN4O4S/c17-11-6-12-13(25-9-16(22)20-12)7-14(11)26(23,24)19-8-10-1-3-21-4-2-18-15(21)5-10/h2,4,6-7,10,19H,1,3,5,8-9H2,(H,20,22)/t10-/m1/s1
InChIKeyBYRUBNICOYVBSX-SNVBAGLBSA-N
XLogP1.41
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide with MolForge

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Related Compounds

2-chloro-5-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 128997553
2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129337743
2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 129338244
6-chloro-7-(3,3-difluoroazetidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 138006957
6-chloro-3-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 55681530
6-chloro-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 55681512
2,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)thiophene-3-sulfonamide
CID 128967311
6-chloro-N-[(4-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548468
(2S)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 92863811
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-cyclopentylpiperidine-4-carboxamide
CID 46288738
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-cycloheptylpyrrolidine-2-carboxamide
CID 53068394
6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 55682435

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide (CID 129328655) is 6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide is O=C1COc2cc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is BYRUBNICOYVBSX-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17ClN4O4S/c17-11-6-12-13(25-9-16(22)20-12)7-14(11)26(23,24)19-8-10-1-3-21-4-2-18-15(21)5-10/h2,4,6-7,10,19H,1,3,5,8-9H2,(H,20,22)/t10-/m1/s1.
What are the key properties of 6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide?
6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 396.86 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 129328655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).