3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide

C14H10ClNO3S — CID 134907955

IUPAC3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)N=C2c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO3S/c1-19-11-6-7-12-13(8-11)20(17,18)16-14(12)9-2-4-10(15)5-3-9/h2-8H,1H3
InChIKeyCWWWNNJVHMTPPT-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.89
Rot. Bonds2

About 3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide

3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide (PubChem CID 134907955) has the molecular formula C14H10ClNO3S and a molecular weight of 307.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide
PubChem CID134907955
Molecular FormulaC14H10ClNO3S
Molecular Weight307.76 g/mol
Exact Mass307.01
IUPAC Name3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)N=C2c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO3S/c1-19-11-6-7-12-13(8-11)20(17,18)16-14(12)9-2-4-10(15)5-3-9/h2-8H,1H3
InChIKeyCWWWNNJVHMTPPT-UHFFFAOYSA-N
XLogP2.89
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Ethylphenoxy)-1,2-benzisothiazole 1,1-dioxide
CID 689653
N'-[1-(4-chlorophenyl)ethylidene]-4-methoxybenzenesulfonohydrazide
CID 5332734
3-(2-Chlorophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 2221732
4-chloro-N'-[1-(3-methoxyphenyl)ethylidene]benzenesulfonohydrazide
CID 9586345
3-(4-Chlorophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 794423
3-(3-Chlorophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 44623919
3-[1-(4-Methoxyphenyl)ethyl]-1,2-benzothiazole 1,1-dioxide
CID 12118267
(NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide
CID 24796613
(NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide
CID 53375428
6-Methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide
CID 134907954
(NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide
CID 135021377
3-(4-Methoxy-2-prop-2-enylphenyl)-1,2-benzothiazole 1,1-dioxide
CID 162398781

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide (CID 134907955) is 3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide is COc1ccc2c(c1)S(=O)(=O)N=C2c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide?
The InChIKey is CWWWNNJVHMTPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3S/c1-19-11-6-7-12-13(8-11)20(17,18)16-14(12)9-2-4-10(15)5-3-9/h2-8H,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide?
3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide has a molecular weight of 307.76 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methoxy-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 134907955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).