N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide

C16H14ClN3O2S — CID 3163998

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2c(Cl)ccc3nsnc23)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-9(2)22-11-5-3-10(4-6-11)16(21)18-14-12(17)7-8-13-15(14)20-23-19-13/h3-9H,1-2H3,(H,18,21)
InChIKeyJNFGTNFNAQQUNF-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.38
Rot. Bonds4

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide (PubChem CID 3163998) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide
PubChem CID3163998
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2c(Cl)ccc3nsnc23)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-9(2)22-11-5-3-10(4-6-11)16(21)18-14-12(17)7-8-13-15(14)20-23-19-13/h3-9H,1-2H3,(H,18,21)
InChIKeyJNFGTNFNAQQUNF-UHFFFAOYSA-N
XLogP4.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 65474532
2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 17098726
3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]butanoic acid
CID 65451539
N-(5-chloro-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 33327699
dimethyl (E)-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]but-2-enedioate
CID 168569373
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65452365

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide (CID 3163998) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2c(Cl)ccc3nsnc23)cc1.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide?
The InChIKey is JNFGTNFNAQQUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-9(2)22-11-5-3-10(4-6-11)16(21)18-14-12(17)7-8-13-15(14)20-23-19-13/h3-9H,1-2H3,(H,18,21).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide has a molecular weight of 347.83 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 3163998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).