N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide

C14H14ClFN2O2S — CID 81094378

IUPACN-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
SMILESNCc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H14ClFN2O2S/c15-12-5-6-14(13(16)7-12)21(19,20)18-9-11-3-1-10(8-17)2-4-11/h1-7,18H,8-9,17H2
InChIKeyLAVJLMDYXBKIQF-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.42
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide

N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide (PubChem CID 81094378) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
PubChem CID81094378
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
SMILESNCc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H14ClFN2O2S/c15-12-5-6-14(13(16)7-12)21(19,20)18-9-11-3-1-10(8-17)2-4-11/h1-7,18H,8-9,17H2
InChIKeyLAVJLMDYXBKIQF-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
[4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191387
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 81095097
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494
4-chloro-2-fluoro-N-[[3-(propan-2-ylamino)phenyl]methyl]benzenesulfonamide
CID 71855196
N-[[4-(aminomethyl)phenyl]methyl]-2,6-difluorobenzenesulfonamide
CID 81093126
2-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970037
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 61109676
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide (CID 81094378) is N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide is NCc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide?
The InChIKey is LAVJLMDYXBKIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c15-12-5-6-14(13(16)7-12)21(19,20)18-9-11-3-1-10(8-17)2-4-11/h1-7,18H,8-9,17H2.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide?
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 81094378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).