2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole

C13H10F2N2O4S — CID 11348021

IUPAC2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole
SMILESNS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C13H10F2N2O4S/c14-13(15)20-11-6-3-9(7-12(11)21-13)8-1-4-10(5-2-8)17-22(16,18)19/h1-7,17H,(H2,16,18,19)
InChIKeyHCMBBXMRRNPAOR-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.29
Rot. Bonds3

About 2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole

2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole (PubChem CID 11348021) has the molecular formula C13H10F2N2O4S and a molecular weight of 328.30 g/mol. Its IUPAC name is 2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole.

Molecular Properties

Compound Name2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole
PubChem CID11348021
Molecular FormulaC13H10F2N2O4S
Molecular Weight328.30 g/mol
Exact Mass328.03
IUPAC Name2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole
SMILESNS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C13H10F2N2O4S/c14-13(15)20-11-6-3-9(7-12(11)21-13)8-1-4-10(5-2-8)17-22(16,18)19/h1-7,17H,(H2,16,18,19)
InChIKeyHCMBBXMRRNPAOR-UHFFFAOYSA-N
XLogP2.29
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)phenyl]sulfamide
CID 11737887
N-[4-(2,2,3,3-tetrafluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-phenyl]sulfamide
CID 11280370
N-[4-(2,2-dimethyl-1,3-benzodioxol-5-yl)phenyl]sulfamide
CID 11427185
(E)-4-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)benzenamine
CID 49799654
N-[4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]phenyl]methanesulfonamide
CID 130203641
(E)-3-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)benzenamine
CID 49799653
3',4'-Dimethoxy-[1,1'-biphenyl]-4-amine
CID 21831818
N-[4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]phenyl]propane-2-sulfonamide
CID 146547731
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]sulfamide
CID 23626142
N-[2-(1,3-benzodioxol-5-yl)phenyl]-1,1,1-trifluoromethanesulfonamide
CID 155933703
5-(4-Azido-3-fluorophenyl)-1,3-benzodioxole
CID 162406539
5-(4-Nitrophenyl)-1,3-benzodioxole
CID 134946221

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
The IUPAC name of 2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole (CID 11348021) is 2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole.
What is the SMILES notation for 2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
The canonical SMILES for 2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole is NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1.
What is the InChIKey of 2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
The InChIKey is HCMBBXMRRNPAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O4S/c14-13(15)20-11-6-3-9(7-12(11)21-13)8-1-4-10(5-2-8)17-22(16,18)19/h1-7,17H,(H2,16,18,19).
What are the key properties of 2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole has a molecular weight of 328.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole is sourced from PubChem (CID 11348021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).