2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride

C8H12Cl2N2O2S — CID 66877918

IUPAC2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(Cl)cc1CN.Cl
InChIInChI=1S/C8H11ClN2O2S.ClH/c1-11-14(12,13)8-3-2-7(9)4-6(8)5-10;/h2-4,11H,5,10H2,1H3;1H
InChIKeyGGCGUZOAMPCPID-UHFFFAOYSA-N
MW271.17 g/mol
LogP1.13
Rot. Bonds3

About 2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride

2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 66877918) has the molecular formula C8H12Cl2N2O2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
PubChem CID66877918
Molecular FormulaC8H12Cl2N2O2S
Molecular Weight271.17 g/mol
Exact Mass270.00
IUPAC Name2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(Cl)cc1CN.Cl
InChIInChI=1S/C8H11ClN2O2S.ClH/c1-11-14(12,13)8-3-2-7(9)4-6(8)5-10;/h2-4,11H,5,10H2,1H3;1H
InChIKeyGGCGUZOAMPCPID-UHFFFAOYSA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 125498168
N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride
CID 138677601
2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 80646384
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119975810
4-bromo-2-ethyl-N-methylbenzenesulfonamide
CID 67059569
2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 106087423
N-[2-(5-chloro-2-sulfamoylphenyl)ethyl]acetamide
CID 118162125
2-(aminomethyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 106060498
(5-chloro-2-iodophenyl)methanamine;hydrochloride
CID 122156655
2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060822

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride (CID 66877918) is 2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride is CNS(=O)(=O)c1ccc(Cl)cc1CN.Cl.
What is the InChIKey of 2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is GGCGUZOAMPCPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S.ClH/c1-11-14(12,13)8-3-2-7(9)4-6(8)5-10;/h2-4,11H,5,10H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride?
2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 271.17 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 66877918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).