1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide

C11H12N2O2S2 — CID 66351875

IUPAC1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccsc2)c1
InChIInChI=1S/C11H12N2O2S2/c12-10-3-1-2-9(6-10)8-17(14,15)13-11-4-5-16-7-11/h1-7,13H,8,12H2
InChIKeyFUJPFRHBHSPUIC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.27
Rot. Bonds4

About 1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide

1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide (PubChem CID 66351875) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide
PubChem CID66351875
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccsc2)c1
InChIInChI=1S/C11H12N2O2S2/c12-10-3-1-2-9(6-10)8-17(14,15)13-11-4-5-16-7-11/h1-7,13H,8,12H2
InChIKeyFUJPFRHBHSPUIC-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960
[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid
CID 66880835
2-phenyl-N-thiophen-3-ylethanesulfonamide
CID 71991634
1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
CID 43255711
1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 43256402
1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 43256586
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 43256634
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498
1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide
CID 79048786

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide (CID 66351875) is 1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide is Nc1cccc(CS(=O)(=O)Nc2ccsc2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide?
The InChIKey is FUJPFRHBHSPUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c12-10-3-1-2-9(6-10)8-17(14,15)13-11-4-5-16-7-11/h1-7,13H,8,12H2.
What are the key properties of 1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide?
1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide has a molecular weight of 268.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide is sourced from PubChem (CID 66351875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).