4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide

C11H17ClN2O3S — CID 113370382

IUPAC4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(CN)cc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-2-17-6-5-14-18(15,16)11-4-3-9(8-13)7-10(11)12/h3-4,7,14H,2,5-6,8,13H2,1H3
InChIKeyLXLCDHPHVDEFGO-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.11
Rot. Bonds7

About 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide

4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide (PubChem CID 113370382) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide
PubChem CID113370382
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(CN)cc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-2-17-6-5-14-18(15,16)11-4-3-9(8-13)7-10(11)12/h3-4,7,14H,2,5-6,8,13H2,1H3
InChIKeyLXLCDHPHVDEFGO-UHFFFAOYSA-N
XLogP1.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-2-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106016293
3-(aminomethyl)-5-chloro-N-(2-ethoxyethyl)-2-methylbenzenesulfonamide
CID 106020144
4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102904883
5-(aminomethyl)-N-(2-ethoxyethyl)pyridine-2-sulfonamide
CID 106020136
4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051244
5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051201
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
CID 43590960
3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275955
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962
2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106019442
5-(aminomethyl)-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 106053951
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide (CID 113370382) is 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide is CCOCCNS(=O)(=O)c1ccc(CN)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide?
The InChIKey is LXLCDHPHVDEFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-2-17-6-5-14-18(15,16)11-4-3-9(8-13)7-10(11)12/h3-4,7,14H,2,5-6,8,13H2,1H3.
What are the key properties of 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide?
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 113370382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).