4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide

C18H18ClN3O3S — CID 162798452

IUPAC4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cccc2c1nc1n2C(CNS(=O)(=O)c2ccc(Cl)cc2)COC1
InChIInChI=1S/C18H18ClN3O3S/c1-12-3-2-4-16-18(12)21-17-11-25-10-14(22(16)17)9-20-26(23,24)15-7-5-13(19)6-8-15/h2-8,14,20H,9-11H2,1H3
InChIKeyFBFHDZMLGTXUEN-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.05
Rot. Bonds4

About 4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide

4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide (PubChem CID 162798452) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide
PubChem CID162798452
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cccc2c1nc1n2C(CNS(=O)(=O)c2ccc(Cl)cc2)COC1
InChIInChI=1S/C18H18ClN3O3S/c1-12-3-2-4-16-18(12)21-17-11-25-10-14(22(16)17)9-20-26(23,24)15-7-5-13(19)6-8-15/h2-8,14,20H,9-11H2,1H3
InChIKeyFBFHDZMLGTXUEN-UHFFFAOYSA-N
XLogP3.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide (CID 162798452) is 4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide is Cc1cccc2c1nc1n2C(CNS(=O)(=O)c2ccc(Cl)cc2)COC1.
What is the InChIKey of 4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is FBFHDZMLGTXUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-12-3-2-4-16-18(12)21-17-11-25-10-14(22(16)17)9-20-26(23,24)15-7-5-13(19)6-8-15/h2-8,14,20H,9-11H2,1H3.
What are the key properties of 4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide?
4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 391.88 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 162798452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).