4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide

C14H14ClFN2O2S — CID 61127332

IUPAC4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H14ClFN2O2S/c1-18(9-12-13(15)3-2-4-14(12)16)21(19,20)11-7-5-10(17)6-8-11/h2-8H,9,17H2,1H3
InChIKeyWRXVBPUMMHDMLD-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.88
Rot. Bonds4

About 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide

4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 61127332) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID61127332
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H14ClFN2O2S/c1-18(9-12-13(15)3-2-4-14(12)16)21(19,20)11-7-5-10(17)6-8-11/h2-8H,9,17H2,1H3
InChIKeyWRXVBPUMMHDMLD-UHFFFAOYSA-N
XLogP2.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61050922
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxochromene-6-sulfonamide
CID 31534328
5-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61127334
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide
CID 18080162
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide
CID 107650651
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide
CID 35303260
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1,3-trimethylpyrazole-4-sulfonamide
CID 55731451
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpropane-1-sulfonamide
CID 79580202
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine
CID 112811399
5-amino-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]benzoic acid
CID 63116689
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-ethylsulfonylbenzenesulfonamide
CID 55872067
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 112845360

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide (CID 61127332) is 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is WRXVBPUMMHDMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-18(9-12-13(15)3-2-4-14(12)16)21(19,20)11-7-5-10(17)6-8-11/h2-8H,9,17H2,1H3.
What are the key properties of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61127332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).