2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide

C14H14ClFN2O2S — CID 106060611

IUPAC2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-17-9-10-5-6-13(15)14(7-10)21(19,20)18-12-4-2-3-11(16)8-12/h2-8,17-18H,9H2,1H3
InChIKeyTYLGPGMEMTVPIT-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.00
Rot. Bonds5

About 2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide

2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106060611) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106060611
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-17-9-10-5-6-13(15)14(7-10)21(19,20)18-12-4-2-3-11(16)8-12/h2-8,17-18H,9H2,1H3
InChIKeyTYLGPGMEMTVPIT-UHFFFAOYSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106060591
2-chloro-N-[3-(chloromethyl)phenyl]-5-fluorobenzenesulfonamide
CID 105400633
2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 17377299
5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060630
2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide
CID 106912977
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922
2,4-dichloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 103089625
N-(3-fluorophenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106060661
N-(3,5-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60822038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide (CID 106060611) is 2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is TYLGPGMEMTVPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-17-9-10-5-6-13(15)14(7-10)21(19,20)18-12-4-2-3-11(16)8-12/h2-8,17-18H,9H2,1H3.
What are the key properties of 2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide?
2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106060611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).