N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride

C14H22ClFN2O4S — CID 120713286

IUPACN-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)NCC(N)C1CC1.Cl
InChIInChI=1S/C14H21FN2O4S.ClH/c1-20-6-7-21-13-5-4-11(15)8-14(13)22(18,19)17-9-12(16)10-2-3-10;/h4-5,8,10,12,17H,2-3,6-7,9,16H2,1H3;1H
InChIKeyTXWKVMVSNFWVPK-UHFFFAOYSA-N
MW368.86 g/mol
LogP1.29
Rot. Bonds9

About N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride

N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride (PubChem CID 120713286) has the molecular formula C14H22ClFN2O4S and a molecular weight of 368.86 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
PubChem CID120713286
Molecular FormulaC14H22ClFN2O4S
Molecular Weight368.86 g/mol
Exact Mass368.10
IUPAC NameN-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)NCC(N)C1CC1.Cl
InChIInChI=1S/C14H21FN2O4S.ClH/c1-20-6-7-21-13-5-4-11(15)8-14(13)22(18,19)17-9-12(16)10-2-3-10;/h4-5,8,10,12,17H,2-3,6-7,9,16H2,1H3;1H
InChIKeyTXWKVMVSNFWVPK-UHFFFAOYSA-N
XLogP1.29
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708720
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide
CID 120707764
N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride
CID 120582550
5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896300
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779271
5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725128
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582633
N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
CID 120582635
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120713306
[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 120711687
N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide
CID 120713278

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride (CID 120713286) is N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride is COCCOc1ccc(F)cc1S(=O)(=O)NCC(N)C1CC1.Cl.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is TXWKVMVSNFWVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S.ClH/c1-20-6-7-21-13-5-4-11(15)8-14(13)22(18,19)17-9-12(16)10-2-3-10;/h4-5,8,10,12,17H,2-3,6-7,9,16H2,1H3;1H.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 368.86 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120713286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).