2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide

C9H10N2O4S — CID 66916067

IUPAC2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide
SMILESNc1cccc(C2OC=C(S(N)(=O)=O)O2)c1
InChIInChI=1S/C9H10N2O4S/c10-7-3-1-2-6(4-7)9-14-5-8(15-9)16(11,12)13/h1-5,9H,10H2,(H2,11,12,13)
InChIKeyUEEOAJCPXQGSRC-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.40
Rot. Bonds2

About 2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide

2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide (PubChem CID 66916067) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide
PubChem CID66916067
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide
SMILESNc1cccc(C2OC=C(S(N)(=O)=O)O2)c1
InChIInChI=1S/C9H10N2O4S/c10-7-3-1-2-6(4-7)9-14-5-8(15-9)16(11,12)13/h1-5,9H,10H2,(H2,11,12,13)
InChIKeyUEEOAJCPXQGSRC-UHFFFAOYSA-N
XLogP0.40
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-Dioxan-2-yl)aniline
CID 601607
3-(1,3-Dioxolan-2-yl)aniline
CID 7020362
3-(Dimethoxymethyl)aniline
CID 232571
N-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide
CID 1265273
m-Aminobenzyloxymethyl ether
CID 56634990
N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 118095408
N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 118095409
3-(1,3-Dioxol-2-yl)-2,4-difluoroaniline
CID 141201649
3-(1,3-Dioxol-2-yl)-4-fluoroaniline
CID 156782271
N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide
CID 895280
3-(Dimethoxymethyl)-4-fluoroaniline
CID 13683068
5-(Dimethoxymethyl)-2-fluoroaniline
CID 13683071

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide?
The IUPAC name of 2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide (CID 66916067) is 2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide.
What is the SMILES notation for 2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide?
The canonical SMILES for 2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide is Nc1cccc(C2OC=C(S(N)(=O)=O)O2)c1.
What is the InChIKey of 2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide?
The InChIKey is UEEOAJCPXQGSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c10-7-3-1-2-6(4-7)9-14-5-8(15-9)16(11,12)13/h1-5,9H,10H2,(H2,11,12,13).
What are the key properties of 2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide?
2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1,3-dioxole-4-sulfonamide is sourced from PubChem (CID 66916067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).