5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide

C12H12F2N2O4S — CID 106030486

IUPAC5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C12H12F2N2O4S/c13-12(14)20-9-3-1-8(2-4-9)16-21(17,18)11-6-5-10(7-15)19-11/h1-6,12,16H,7,15H2
InChIKeyCRSSQDXSQMJJIQ-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.14
Rot. Bonds6

About 5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide

5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide (PubChem CID 106030486) has the molecular formula C12H12F2N2O4S and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide
PubChem CID106030486
Molecular FormulaC12H12F2N2O4S
Molecular Weight318.30 g/mol
Exact Mass318.05
IUPAC Name5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C12H12F2N2O4S/c13-12(14)20-9-3-1-8(2-4-9)16-21(17,18)11-6-5-10(7-15)19-11/h1-6,12,16H,7,15H2
InChIKeyCRSSQDXSQMJJIQ-UHFFFAOYSA-N
XLogP2.14
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]furan-2-sulfonamide
CID 106030466
5-(aminomethyl)-N-(3-fluorophenyl)furan-2-sulfonamide
CID 106060640
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)furan-2-sulfonamide
CID 106059570
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide
CID 167775833
2-chloro-N-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415373
N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 2542290
4-amino-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61299189
5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 106267245
2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide
CID 26980608
5-(aminomethyl)-N-(3-chloro-2-pyridinyl)furan-2-sulfonamide
CID 106086601

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide (CID 106030486) is 5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide is NCc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)o1.
What is the InChIKey of 5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide?
The InChIKey is CRSSQDXSQMJJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O4S/c13-12(14)20-9-3-1-8(2-4-9)16-21(17,18)11-6-5-10(7-15)19-11/h1-6,12,16H,7,15H2.
What are the key properties of 5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide?
5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide has a molecular weight of 318.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide is sourced from PubChem (CID 106030486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).