N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide

C14H9F3N2O2S2 — CID 75511044

IUPACN-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2sncc2c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O2S2/c15-14(16,17)10-2-1-3-12(7-10)23(20,21)19-11-4-5-13-9(6-11)8-18-22-13/h1-8,19H
InChIKeyHAGMFYRCDNQTNY-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.12
Rot. Bonds3

About N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 75511044) has the molecular formula C14H9F3N2O2S2 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID75511044
Molecular FormulaC14H9F3N2O2S2
Molecular Weight358.37 g/mol
Exact Mass358.01
IUPAC NameN-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2sncc2c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O2S2/c15-14(16,17)10-2-1-3-12(7-10)23(20,21)19-11-4-5-13-9(6-11)8-18-22-13/h1-8,19H
InChIKeyHAGMFYRCDNQTNY-UHFFFAOYSA-N
XLogP4.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 75511044) is N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc2sncc2c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HAGMFYRCDNQTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S2/c15-14(16,17)10-2-1-3-12(7-10)23(20,21)19-11-4-5-13-9(6-11)8-18-22-13/h1-8,19H.
What are the key properties of N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 358.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 75511044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).