3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide

C23H22ClN5O4S — CID 57493717

IUPAC3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc2nccn2c1OCc1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C23H22ClN5O4S/c1-15-17(24)4-3-5-20(15)34(30,31)27-22-23(29-9-8-25-21(29)13-26-22)33-14-16-6-7-19-18(12-16)28(2)10-11-32-19/h3-9,12-13,27H,10-11,14H2,1-2H3
InChIKeyOJLHWHLYSMPSBA-UHFFFAOYSA-N
MW499.98 g/mol
LogP3.90
Rot. Bonds6

About 3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide

3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide (PubChem CID 57493717) has the molecular formula C23H22ClN5O4S and a molecular weight of 499.98 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide
PubChem CID57493717
Molecular FormulaC23H22ClN5O4S
Molecular Weight499.98 g/mol
Exact Mass499.11
IUPAC Name3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc2nccn2c1OCc1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C23H22ClN5O4S/c1-15-17(24)4-3-5-20(15)34(30,31)27-22-23(29-9-8-25-21(29)13-26-22)33-14-16-6-7-19-18(12-16)28(2)10-11-32-19/h3-9,12-13,27H,10-11,14H2,1-2H3
InChIKeyOJLHWHLYSMPSBA-UHFFFAOYSA-N
XLogP3.90
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide (CID 57493717) is 3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc2nccn2c1OCc1ccc2c(c1)N(C)CCO2.
What is the InChIKey of 3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide?
The InChIKey is OJLHWHLYSMPSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O4S/c1-15-17(24)4-3-5-20(15)34(30,31)27-22-23(29-9-8-25-21(29)13-26-22)33-14-16-6-7-19-18(12-16)28(2)10-11-32-19/h3-9,12-13,27H,10-11,14H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide has a molecular weight of 499.98 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 57493717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).