5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine

C14H11Cl2N3S — CID 43740914

IUPAC5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1ccccc1CNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C14H11Cl2N3S/c1-8-4-2-3-5-9(8)7-17-12-10(15)6-11(16)13-14(12)19-20-18-13/h2-6,17H,7H2,1H3
InChIKeyHLDBXKYOYCXVOC-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.92
Rot. Bonds3

About 5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 43740914) has the molecular formula C14H11Cl2N3S and a molecular weight of 324.24 g/mol. Its IUPAC name is 5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID43740914
Molecular FormulaC14H11Cl2N3S
Molecular Weight324.24 g/mol
Exact Mass323.01
IUPAC Name5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1ccccc1CNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C14H11Cl2N3S/c1-8-4-2-3-5-9(8)7-17-12-10(15)6-11(16)13-14(12)19-20-18-13/h2-6,17H,7H2,1H3
InChIKeyHLDBXKYOYCXVOC-UHFFFAOYSA-N
XLogP4.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-N-[(2,3-dimethylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 63447211
5,7-dichloro-N-[(4-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740915
5,7-dichloro-N-[(4-ethylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740917
5,7-dichloro-N-[(2,4-difluorophenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740909
3-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]phenol
CID 43740960
5,7-dichloro-N-[(4-fluorophenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740906
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 65476221
N-but-2-ynyl-5,7-dichloro-2,1,3-benzothiadiazol-4-amine
CID 65473505
N-[(3-bromothiophen-2-yl)methyl]-5,7-dichloro-2,1,3-benzothiadiazol-4-amine
CID 65473307
5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine
CID 63090384
5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 62350460

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine (CID 43740914) is 5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine is Cc1ccccc1CNc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is HLDBXKYOYCXVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3S/c1-8-4-2-3-5-9(8)7-17-12-10(15)6-11(16)13-14(12)19-20-18-13/h2-6,17H,7H2,1H3.
What are the key properties of 5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 324.24 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 43740914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).