N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

C16H14ClN3O3S2 — CID 2399136

IUPACN-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3S2/c1-20(25(22,23)12-8-6-11(17)7-9-12)10-15(21)19-16-18-13-4-2-3-5-14(13)24-16/h2-9H,10H2,1H3,(H,18,19,21)
InChIKeyBNPRKRSNXMOSNY-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.21
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 2399136) has the molecular formula C16H14ClN3O3S2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID2399136
Molecular FormulaC16H14ClN3O3S2
Molecular Weight395.89 g/mol
Exact Mass395.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3S2/c1-20(25(22,23)12-8-6-11(17)7-9-12)10-15(21)19-16-18-13-4-2-3-5-14(13)24-16/h2-9H,10H2,1H3,(H,18,19,21)
InChIKeyBNPRKRSNXMOSNY-UHFFFAOYSA-N
XLogP3.21
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 959639
N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
CID 541218
1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea
CID 1069494
(2S)-N-(5-chloro-1,3-benzothiazol-2-yl)-1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-2-carboxamide
CID 117698842
N-{6-[(diallylamino)sulfonyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
CID 993382
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 2093093
N-(6-(piperidin-1-ylsulfonyl)benzo[d]thiazol-2-yl)butyramide
CID 2138904
6-Chloro-2-{4-[(4-chlorophenyl)sulfonyl]-1,4-diazepan-1-yl}-1,3-benzothiazole
CID 2796091
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
CID 6622712
2-(2,1,3-Benzothiadiazole-4-sulfonamido)-N-(6-chloro-1,3-benzothiazol-2-YL)-3-methylbutanamide
CID 11957290
2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 122182647
Ethyl 2-[(4-aminophenyl)sulfonyl-(6-chloro-1,3-benzothiazol-2-yl)amino]acetate
CID 162648410

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (CID 2399136) is N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is BNPRKRSNXMOSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S2/c1-20(25(22,23)12-8-6-11(17)7-9-12)10-15(21)19-16-18-13-4-2-3-5-14(13)24-16/h2-9H,10H2,1H3,(H,18,19,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 395.89 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 2399136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).