7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C14H11ClN2O4S2 — CID 20961628

IUPAC7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S(=O)(Cc1ccccc1Cl)c1ccc2c(c1)S(=O)(=O)N=CN2
InChIInChI=1S/C14H11ClN2O4S2/c15-12-4-2-1-3-10(12)8-22(18,19)11-5-6-13-14(7-11)23(20,21)17-9-16-13/h1-7,9H,8H2,(H,16,17)
InChIKeyUODNWZYTGJXJRE-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.46
Rot. Bonds3

About 7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 20961628) has the molecular formula C14H11ClN2O4S2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID20961628
Molecular FormulaC14H11ClN2O4S2
Molecular Weight370.84 g/mol
Exact Mass369.98
IUPAC Name7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S(=O)(Cc1ccccc1Cl)c1ccc2c(c1)S(=O)(=O)N=CN2
InChIInChI=1S/C14H11ClN2O4S2/c15-12-4-2-1-3-10(12)8-22(18,19)11-5-6-13-14(7-11)23(20,21)17-9-16-13/h1-7,9H,8H2,(H,16,17)
InChIKeyUODNWZYTGJXJRE-UHFFFAOYSA-N
XLogP2.46
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 20961628) is 7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S(=O)(Cc1ccccc1Cl)c1ccc2c(c1)S(=O)(=O)N=CN2.
What is the InChIKey of 7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is UODNWZYTGJXJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S2/c15-12-4-2-1-3-10(12)8-22(18,19)11-5-6-13-14(7-11)23(20,21)17-9-16-13/h1-7,9H,8H2,(H,16,17).
What are the key properties of 7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 370.84 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenyl)methylsulfonyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 20961628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).