1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide

C14H14F2N2O2S — CID 82799003

IUPAC1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)Cc2ccc(N)cc2)c1F
InChIInChI=1S/C14H14F2N2O2S/c1-9-2-7-12(15)14(13(9)16)18-21(19,20)8-10-3-5-11(17)6-4-10/h2-7,18H,8,17H2,1H3
InChIKeyUAVLGZWERGSUNW-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide

1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide (PubChem CID 82799003) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide
PubChem CID82799003
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)Cc2ccc(N)cc2)c1F
InChIInChI=1S/C14H14F2N2O2S/c1-9-2-7-12(15)14(13(9)16)18-21(19,20)8-10-3-5-11(17)6-4-10/h2-7,18H,8,17H2,1H3
InChIKeyUAVLGZWERGSUNW-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106074571
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82816183
1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide
CID 29034630
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide
CID 43550604
1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 63796032
1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 29050516
1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide
CID 82818236
N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
CID 17374357
1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107624704
3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide
CID 82799121

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide (CID 82799003) is 1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide is Cc1ccc(F)c(NS(=O)(=O)Cc2ccc(N)cc2)c1F.
What is the InChIKey of 1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide?
The InChIKey is UAVLGZWERGSUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9-2-7-12(15)14(13(9)16)18-21(19,20)8-10-3-5-11(17)6-4-10/h2-7,18H,8,17H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide?
1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 82799003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).