4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

C17H23ClN2O4S — CID 22550903

IUPAC4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCC(=O)N1CCOc2cc(S(=O)(=O)N(C)C3CCCCC3)c(Cl)cc21
InChIInChI=1S/C17H23ClN2O4S/c1-12(21)20-8-9-24-16-11-17(14(18)10-15(16)20)25(22,23)19(2)13-6-4-3-5-7-13/h10-11,13H,3-9H2,1-2H3
InChIKeyGIYCOMWBUWCYMT-UHFFFAOYSA-N
MW386.90 g/mol
LogP3.04
Rot. Bonds3

About 4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (PubChem CID 22550903) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is 4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
PubChem CID22550903
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC Name4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCC(=O)N1CCOc2cc(S(=O)(=O)N(C)C3CCCCC3)c(Cl)cc21
InChIInChI=1S/C17H23ClN2O4S/c1-12(21)20-8-9-24-16-11-17(14(18)10-15(16)20)25(22,23)19(2)13-6-4-3-5-7-13/h10-11,13H,3-9H2,1-2H3
InChIKeyGIYCOMWBUWCYMT-UHFFFAOYSA-N
XLogP3.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (CID 22550903) is 4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is CC(=O)N1CCOc2cc(S(=O)(=O)N(C)C3CCCCC3)c(Cl)cc21.
What is the InChIKey of 4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The InChIKey is GIYCOMWBUWCYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c1-12(21)20-8-9-24-16-11-17(14(18)10-15(16)20)25(22,23)19(2)13-6-4-3-5-7-13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide has a molecular weight of 386.90 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22550903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).