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

C8H6ClN3OS — CID 2994664

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCC(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C8H6ClN3OS/c1-4(13)10-7-5(9)2-3-6-8(7)12-14-11-6/h2-3H,1H3,(H,10,13)
InChIKeyGSQPORYNHPKRQP-UHFFFAOYSA-N
MW227.68 g/mol
LogP2.30
Rot. Bonds1

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

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 2994664) has the molecular formula C8H6ClN3OS and a molecular weight of 227.68 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID2994664
Molecular FormulaC8H6ClN3OS
Molecular Weight227.68 g/mol
Exact Mass226.99
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCC(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C8H6ClN3OS/c1-4(13)10-7-5(9)2-3-6-8(7)12-14-11-6/h2-3H,1H3,(H,10,13)
InChIKeyGSQPORYNHPKRQP-UHFFFAOYSA-N
XLogP2.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 65474532
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
dimethyl (E)-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]but-2-enedioate
CID 168569373
2-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 115432610
3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]butanoic acid
CID 65451539
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide
CID 65475114
(E)-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]prop-2-enoic acid
CID 103252294
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide
CID 3163998

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide (CID 2994664) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide is CC(=O)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is GSQPORYNHPKRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS/c1-4(13)10-7-5(9)2-3-6-8(7)12-14-11-6/h2-3H,1H3,(H,10,13).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 227.68 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 2994664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).