7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine

C14H10ClN3O2S — CID 57082447

IUPAC7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine
SMILESCc1ccc(S(=O)(=O)c2nnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C14H10ClN3O2S/c1-9-2-5-11(6-3-9)21(19,20)14-16-12-7-4-10(15)8-13(12)17-18-14/h2-8H,1H3
InChIKeyDYTDUFJAYJXGNV-UHFFFAOYSA-N
MW319.77 g/mol
LogP2.82
Rot. Bonds2

About 7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine

7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine (PubChem CID 57082447) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine.

Molecular Properties

Compound Name7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine
PubChem CID57082447
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine
SMILESCc1ccc(S(=O)(=O)c2nnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C14H10ClN3O2S/c1-9-2-5-11(6-3-9)21(19,20)14-16-12-7-4-10(15)8-13(12)17-18-14/h2-8H,1H3
InChIKeyDYTDUFJAYJXGNV-UHFFFAOYSA-N
XLogP2.82
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-7-chloro-1,2,4-benzotriazine
CID 56612765
2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline
CID 70549795
7-chlorophenazine-2-sulfonamide
CID 121010927
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 45495724
2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 167434977
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
2-[(5-chloro-1,3-benzoxazol-2-yl)amino]ethyl 4-methylbenzenesulfonate
CID 175476050

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine?
The IUPAC name of 7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine (CID 57082447) is 7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine.
What is the SMILES notation for 7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine?
The canonical SMILES for 7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine is Cc1ccc(S(=O)(=O)c2nnc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine?
The InChIKey is DYTDUFJAYJXGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c1-9-2-5-11(6-3-9)21(19,20)14-16-12-7-4-10(15)8-13(12)17-18-14/h2-8H,1H3.
What are the key properties of 7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine?
7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine has a molecular weight of 319.77 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine is sourced from PubChem (CID 57082447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).