4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide

C14H14F2N2O2S — CID 60985509

IUPAC4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(F)cc(N)cc2F)cc1
InChIInChI=1S/C14H14F2N2O2S/c1-9-2-4-10(5-3-9)8-18-21(19,20)14-12(15)6-11(17)7-13(14)16/h2-7,18H,8,17H2,1H3
InChIKeyDFZWJMDLLIHEGZ-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.33
Rot. Bonds4

About 4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide

4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 60985509) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID60985509
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(F)cc(N)cc2F)cc1
InChIInChI=1S/C14H14F2N2O2S/c1-9-2-4-10(5-3-9)8-18-21(19,20)14-12(15)6-11(17)7-13(14)16/h2-7,18H,8,17H2,1H3
InChIKeyDFZWJMDLLIHEGZ-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60984178
5-amino-N-[(4-bromophenyl)methyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79898632
4-amino-2,6-difluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698255
4-amino-N-but-2-ynyl-2,6-difluorobenzenesulfonamide
CID 113464456
N-[[4-(aminomethyl)phenyl]methyl]-2,6-difluorobenzenesulfonamide
CID 81093126
2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572415
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-difluorobenzenesulfonamide
CID 79223521
4-amino-2,6-difluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63280248
4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 3602682
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 82055523
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 60985509) is 4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2c(F)cc(N)cc2F)cc1.
What is the InChIKey of 4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is DFZWJMDLLIHEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9-2-4-10(5-3-9)8-18-21(19,20)14-12(15)6-11(17)7-13(14)16/h2-7,18H,8,17H2,1H3.
What are the key properties of 4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide?
4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 60985509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).