3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide

C14H14F2N2O3S2 — CID 91949648

IUPAC3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CCCC2)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H14F2N2O3S2/c15-13(16)21-9-4-3-5-10(8-9)23(19,20)18-14-17-11-6-1-2-7-12(11)22-14/h3-5,8,13H,1-2,6-7H2,(H,17,18)
InChIKeyGWCURBQYYXLWPY-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.42
Rot. Bonds5

About 3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide

3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide (PubChem CID 91949648) has the molecular formula C14H14F2N2O3S2 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
PubChem CID91949648
Molecular FormulaC14H14F2N2O3S2
Molecular Weight360.41 g/mol
Exact Mass360.04
IUPAC Name3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CCCC2)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H14F2N2O3S2/c15-13(16)21-9-4-3-5-10(8-9)23(19,20)18-14-17-11-6-1-2-7-12(11)22-14/h3-5,8,13H,1-2,6-7H2,(H,17,18)
InChIKeyGWCURBQYYXLWPY-UHFFFAOYSA-N
XLogP3.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201612
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61073899
4-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 116528503
2,3,5,6-tetramethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201617
5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 3323683
3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 146143726
4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919755
3-(benzenesulfonamido)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 7541935
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62152569
2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 10270918
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791735

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide (CID 91949648) is 3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc2c(s1)CCCC2)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The InChIKey is GWCURBQYYXLWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3S2/c15-13(16)21-9-4-3-5-10(8-9)23(19,20)18-14-17-11-6-1-2-7-12(11)22-14/h3-5,8,13H,1-2,6-7H2,(H,17,18).
What are the key properties of 3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 91949648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).