3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

C14H14ClFN2O2S — CID 106031091

IUPAC3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(CN)c2)c(F)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-9-2-5-14(13(16)6-9)18-21(19,20)11-3-4-12(15)10(7-11)8-17/h2-7,18H,8,17H2,1H3
InChIKeyLXIBOTYKDOGRQK-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.05
Rot. Bonds4

About 3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 106031091) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
PubChem CID106031091
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(CN)c2)c(F)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-9-2-5-14(13(16)6-9)18-21(19,20)11-3-4-12(15)10(7-11)8-17/h2-7,18H,8,17H2,1H3
InChIKeyLXIBOTYKDOGRQK-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
CID 106073917
2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide
CID 54896062
4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 65480207
3-amino-N-(2-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28890673
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 28716951
N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 81258256

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide (CID 106031091) is 3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(CN)c2)c(F)c1.
What is the InChIKey of 3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is LXIBOTYKDOGRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9-2-5-14(13(16)6-9)18-21(19,20)11-3-4-12(15)10(7-11)8-17/h2-7,18H,8,17H2,1H3.
What are the key properties of 3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 106031091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).