N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide

C14H10F3NO4S — CID 888461

IUPACN-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)Oc2ccccc2O1)c1ccccc1
InChIInChI=1S/C14H10F3NO4S/c15-13(16,17)14(21-11-8-4-5-9-12(11)22-14)18-23(19,20)10-6-2-1-3-7-10/h1-9,18H
InChIKeyBFENQIJCRWDWBN-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.65
Rot. Bonds3

About N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide

N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide (PubChem CID 888461) has the molecular formula C14H10F3NO4S and a molecular weight of 345.30 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide
PubChem CID888461
Molecular FormulaC14H10F3NO4S
Molecular Weight345.30 g/mol
Exact Mass345.03
IUPAC NameN-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)Oc2ccccc2O1)c1ccccc1
InChIInChI=1S/C14H10F3NO4S/c15-13(16,17)14(21-11-8-4-5-9-12(11)22-14)18-23(19,20)10-6-2-1-3-7-10/h1-9,18H
InChIKeyBFENQIJCRWDWBN-UHFFFAOYSA-N
XLogP2.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-sulfamoylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 1179235
1-benzhydryl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 2160647
N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide
CID 126606304
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
1-(3,3-diphenylpropyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 2160649
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
1,1-dicyclohexyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 2160656
(3S)-3-chloro-2,2,3-trifluoro-1,4-benzodioxine
CID 97109372
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide
CID 164941118
(4-methylphenyl) N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate
CID 680700
1-[2-(dimethylamino)ethyl]-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 756402
CID 88793655
CID 88793655

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide?
The IUPAC name of N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide (CID 888461) is N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide is O=S(=O)(NC1(C(F)(F)F)Oc2ccccc2O1)c1ccccc1.
What is the InChIKey of N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide?
The InChIKey is BFENQIJCRWDWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4S/c15-13(16,17)14(21-11-8-4-5-9-12(11)22-14)18-23(19,20)10-6-2-1-3-7-10/h1-9,18H.
What are the key properties of N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide?
N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide has a molecular weight of 345.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzenesulfonamide is sourced from PubChem (CID 888461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).