(3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone

C20H14ClNO4S — CID 21203814

IUPAC(3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone
SMILESCOc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H14ClNO4S/c1-26-15-9-10-18-17(12-15)16-7-2-3-8-19(16)27(24,25)22(18)20(23)13-5-4-6-14(21)11-13/h2-12H,1H3
InChIKeyAJCFASDMBGGKPB-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.36
Rot. Bonds2

About (3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone

(3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone (PubChem CID 21203814) has the molecular formula C20H14ClNO4S and a molecular weight of 399.86 g/mol. Its IUPAC name is (3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone
PubChem CID21203814
Molecular FormulaC20H14ClNO4S
Molecular Weight399.86 g/mol
Exact Mass399.03
IUPAC Name(3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone
SMILESCOc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H14ClNO4S/c1-26-15-9-10-18-17(12-15)16-7-2-3-8-19(16)27(24,25)22(18)20(23)13-5-4-6-14(21)11-13/h2-12H,1H3
InChIKeyAJCFASDMBGGKPB-UHFFFAOYSA-N
XLogP4.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone
CID 21203809
2-(3-methoxybenzoyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 70586777
(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone
CID 3637684
(3,4-dimethoxyphenyl)-(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone
CID 21203823
[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33185375
3-(3-chlorobenzoyl)-2-methyl-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one
CID 91498228
methyl 3-chlorobenzenecarboperoxoate
CID 118256511
N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368424
(3-chlorophenyl)-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone
CID 42688577
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
2-benzoyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 569566
(2R)-1'-benzyl-3-(3-chlorobenzoyl)-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181720

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone (CID 21203814) is (3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone is COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(=O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone?
The InChIKey is AJCFASDMBGGKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO4S/c1-26-15-9-10-18-17(12-15)16-7-2-3-8-19(16)27(24,25)22(18)20(23)13-5-4-6-14(21)11-13/h2-12H,1H3.
What are the key properties of (3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone?
(3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone has a molecular weight of 399.86 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone is sourced from PubChem (CID 21203814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).