N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide

C17H15ClN2O4S2 — CID 41322234

IUPACN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(C)ccc(Cl)c3s2)cc1
InChIInChI=1S/C17H15ClN2O4S2/c1-10-3-8-13(18)16-15(10)20-17(25-16)19-14(21)9-26(22,23)12-6-4-11(24-2)5-7-12/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyPTCOQDBCHVPGMS-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.68
Rot. Bonds5

About N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide (PubChem CID 41322234) has the molecular formula C17H15ClN2O4S2 and a molecular weight of 410.90 g/mol. Its IUPAC name is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
PubChem CID41322234
Molecular FormulaC17H15ClN2O4S2
Molecular Weight410.90 g/mol
Exact Mass410.02
IUPAC NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(C)ccc(Cl)c3s2)cc1
InChIInChI=1S/C17H15ClN2O4S2/c1-10-3-8-13(18)16-15(10)20-17(25-16)19-14(21)9-26(22,23)12-6-4-11(24-2)5-7-12/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyPTCOQDBCHVPGMS-UHFFFAOYSA-N
XLogP3.68
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18573121
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide
CID 18586007
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)sulfonylacetamide
CID 18586133
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16862951
2-bromo-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-methoxybenzamide
CID 121081444
2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16799558
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320653
3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide
CID 41323655
3-(4-chlorophenyl)sulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 41151675
2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078
2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1484125
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 16831339

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
The IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide (CID 41322234) is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide.
What is the SMILES notation for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
The canonical SMILES for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide is COc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(C)ccc(Cl)c3s2)cc1.
What is the InChIKey of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
The InChIKey is PTCOQDBCHVPGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S2/c1-10-3-8-13(18)16-15(10)20-17(25-16)19-14(21)9-26(22,23)12-6-4-11(24-2)5-7-12/h3-8H,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide has a molecular weight of 410.90 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 41322234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).