3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide

C16H12F3N3O4S2 — CID 35994079

IUPAC3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c1
InChIInChI=1S/C16H12F3N3O4S2/c1-28(24,25)22-10-4-2-3-9(7-10)14(23)21-15-20-12-6-5-11(8-13(12)27-15)26-16(17,18)19/h2-8,22H,1H3,(H,20,21,23)
InChIKeyFMZLFUBQQCYSNI-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.82
Rot. Bonds5

About 3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide

3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 35994079) has the molecular formula C16H12F3N3O4S2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
PubChem CID35994079
Molecular FormulaC16H12F3N3O4S2
Molecular Weight431.42 g/mol
Exact Mass431.02
IUPAC Name3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c1
InChIInChI=1S/C16H12F3N3O4S2/c1-28(24,25)22-10-4-2-3-9(7-10)14(23)21-15-20-12-6-5-11(8-13(12)27-15)26-16(17,18)19/h2-8,22H,1H3,(H,20,21,23)
InChIKeyFMZLFUBQQCYSNI-UHFFFAOYSA-N
XLogP3.82
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
methyl 5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55823981
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
2-[[2-(methanesulfonamido)acetyl]amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122656861
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 49089748
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(methanesulfonamido)benzamide
CID 37043981
2-chloro-5-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 75357215
1-(3-cyanophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 146255052
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 139541311
3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7578979
1-chloroethyl N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamate
CID 118029905

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide (CID 35994079) is 3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide is CS(=O)(=O)Nc1cccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is FMZLFUBQQCYSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O4S2/c1-28(24,25)22-10-4-2-3-9(7-10)14(23)21-15-20-12-6-5-11(8-13(12)27-15)26-16(17,18)19/h2-8,22H,1H3,(H,20,21,23).
What are the key properties of 3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide?
3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 431.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 35994079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).