2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide

C14H14ClFN2O2S — CID 60986465

IUPAC2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H14ClFN2O2S/c1-18(9-10-2-5-12(16)6-3-10)21(19,20)14-8-11(15)4-7-13(14)17/h2-8H,9,17H2,1H3
InChIKeySYGWHGMBVSLXFC-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.88
Rot. Bonds4

About 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide

2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 60986465) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID60986465
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H14ClFN2O2S/c1-18(9-10-2-5-12(16)6-3-10)21(19,20)14-8-11(15)4-7-13(14)17/h2-8H,9,17H2,1H3
InChIKeySYGWHGMBVSLXFC-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

Benzenesulfonamide, N-(4-chlorophenyl)-4-methyl-
CID 76182
3-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 889300
2-[[(E)-2-(4-Chlorophenyl)ethenyl]sulfonylamino]-4-fluoro-benzenesulfonamide
CID 42644132
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
CID 42644134
2-[2-(4-Chlorophenyl)ethylsulfonylamino]-4-fluoro-benzenesulfonamide
CID 42644368
2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide
CID 42645534
2-[1-(4-Chlorophenyl)propan-2-ylsulfonylamino]-4-fluoro-benzenesulfonamide
CID 42645535
2-[[(E)-1-(4-Chlorophenyl)prop-1-en-2-yl]sulfonylamino]-4-fluoro-benzenesulfonamide
CID 42645536
2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide
CID 42645537
2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-6-fluorobenzenesulfonamide
CID 42645538
2-[2-(4-Chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide
CID 42646007
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide
CID 42646008

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide (CID 60986465) is 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is SYGWHGMBVSLXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-18(9-10-2-5-12(16)6-3-10)21(19,20)14-8-11(15)4-7-13(14)17/h2-8H,9,17H2,1H3.
What are the key properties of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
2-amino-5-chloro-N-[(4-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 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 60986465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).