2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide

C15H12ClN3O3S2 — CID 22583019

IUPAC2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)c(Cl)c1
InChIInChI=1S/C15H12ClN3O3S2/c1-9-5-6-11(10(16)7-9)17-14(20)8-24(21,22)13-4-2-3-12-15(13)19-23-18-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyAEWFJOFPGRVNOQ-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.07
Rot. Bonds4

About 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide

2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 22583019) has the molecular formula C15H12ClN3O3S2 and a molecular weight of 381.87 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID22583019
Molecular FormulaC15H12ClN3O3S2
Molecular Weight381.87 g/mol
Exact Mass381.00
IUPAC Name2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)c(Cl)c1
InChIInChI=1S/C15H12ClN3O3S2/c1-9-5-6-11(10(16)7-9)17-14(20)8-24(21,22)13-4-2-3-12-15(13)19-23-18-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyAEWFJOFPGRVNOQ-UHFFFAOYSA-N
XLogP3.07
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
CID 22583020
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 20856903
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 22583026
(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 92665106
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22583003
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide
CID 15997562
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 3245497
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide
CID 3235802
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801206
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-phenylpropanamide
CID 22421881
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide (CID 22583019) is 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)c(Cl)c1.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is AEWFJOFPGRVNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S2/c1-9-5-6-11(10(16)7-9)17-14(20)8-24(21,22)13-4-2-3-12-15(13)19-23-18-12/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide?
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 381.87 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 22583019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).