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

C23H22ClN5O4S — CID 23122443

IUPAC3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1c(OCc2ccc3c(c2)N(C)CCO3)ncc2nccn12
InChIInChI=1S/C23H22ClN5O4S/c1-15-17(24)4-3-5-20(15)34(30,31)27-22-23(26-13-21-25-8-9-29(21)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
InChIKeyLMAUIANPXCSTIO-UHFFFAOYSA-N
MW499.98 g/mol
LogP3.90
Rot. Bonds6

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

3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide (PubChem CID 23122443) has the molecular formula C23H22ClN5O4S and a molecular weight of 499.98 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide
PubChem CID23122443
Molecular FormulaC23H22ClN5O4S
Molecular Weight499.98 g/mol
Exact Mass499.11
IUPAC Name3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1c(OCc2ccc3c(c2)N(C)CCO3)ncc2nccn12
InChIInChI=1S/C23H22ClN5O4S/c1-15-17(24)4-3-5-20(15)34(30,31)27-22-23(26-13-21-25-8-9-29(21)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
InChIKeyLMAUIANPXCSTIO-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-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide (CID 23122443) is 3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1c(OCc2ccc3c(c2)N(C)CCO3)ncc2nccn12.
What is the InChIKey of 3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide?
The InChIKey is LMAUIANPXCSTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O4S/c1-15-17(24)4-3-5-20(15)34(30,31)27-22-23(26-13-21-25-8-9-29(21)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-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-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-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide is sourced from PubChem (CID 23122443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).