N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide

C16H13Cl2N3O2S — CID 17335822

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C16H13Cl2N3O2S/c1-16(2,23-10-5-3-9(17)4-6-10)15(22)19-13-11(18)7-8-12-14(13)21-24-20-12/h3-8H,1-2H3,(H,19,22)
InChIKeyLADUJFLEXHXCPC-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.79
Rot. Bonds4

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 17335822) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID17335822
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C16H13Cl2N3O2S/c1-16(2,23-10-5-3-9(17)4-6-10)15(22)19-13-11(18)7-8-12-14(13)21-24-20-12/h3-8H,1-2H3,(H,19,22)
InChIKeyLADUJFLEXHXCPC-UHFFFAOYSA-N
XLogP4.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 17098726
2-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 115432610
2-(4-chlorophenoxy)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 5161471
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide
CID 3163998
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 43981331
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 1308911
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 65474532
2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide
CID 122355884
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine
CID 65474285

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide (CID 17335822) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is LADUJFLEXHXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-16(2,23-10-5-3-9(17)4-6-10)15(22)19-13-11(18)7-8-12-14(13)21-24-20-12/h3-8H,1-2H3,(H,19,22).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 382.27 g/mol, XLogP of 4.79, 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)-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 17335822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).