N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide

C15H25FN2O4S — CID 120712250

IUPACN-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C15H25FN2O4S/c1-15(2,10-17)11-18(3)23(19,20)14-9-12(16)5-6-13(14)22-8-7-21-4/h5-6,9H,7-8,10-11,17H2,1-4H3
InChIKeyYMEJUEZLCVEWMY-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.46
Rot. Bonds9

About N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide (PubChem CID 120712250) has the molecular formula C15H25FN2O4S and a molecular weight of 348.44 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
PubChem CID120712250
Molecular FormulaC15H25FN2O4S
Molecular Weight348.44 g/mol
Exact Mass348.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C15H25FN2O4S/c1-15(2,10-17)11-18(3)23(19,20)14-9-12(16)5-6-13(14)22-8-7-21-4/h5-6,9H,7-8,10-11,17H2,1-4H3
InChIKeyYMEJUEZLCVEWMY-UHFFFAOYSA-N
XLogP1.46
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
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-methoxy-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 6487446
3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide
CID 850124
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 16196901
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-ethylbenzenesulfonamide
CID 72190802
2-Butyl-9-fluoro-4-(methoxymethyl)-3,4-dihydro-5,1lambda6,2-benzoxathiazepine 1,1-dioxide
CID 45479928
N,N-diethyl-5-fluoro-2-methoxybenzenesulfonamide
CID 849995
5-fluoro-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 1583576
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-dimethylbenzenesulfonamide
CID 72190182
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-methylbenzenesulfonamide
CID 72190801
Benzenesulfonamide, N-(3-diethylaminopropyl)-p-ethoxy-
CID 208531
Benzenesulfonamide, N-(3-dimethylaminopropyl)-p-propoxy-
CID 208533
Benzenesulfonamide, N-(3-diethylaminopropyl)-p-propoxy-
CID 208534

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide (CID 120712250) is N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide is COCCOc1ccc(F)cc1S(=O)(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide?
The InChIKey is YMEJUEZLCVEWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O4S/c1-15(2,10-17)11-18(3)23(19,20)14-9-12(16)5-6-13(14)22-8-7-21-4/h5-6,9H,7-8,10-11,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide has a molecular weight of 348.44 g/mol, XLogP of 1.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 120712250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).