N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride

C15H24ClFN2O4S — CID 126790151

IUPACN-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1.Cl
InChIInChI=1S/C15H23FN2O4S.ClH/c1-15(2,10-17)18-23(19,20)12-3-4-14(13(16)9-12)22-11-5-7-21-8-6-11;/h3-4,9,11,18H,5-8,10,17H2,1-2H3;1H
InChIKeyCHOWAHHTBLWTGW-UHFFFAOYSA-N
MW382.89 g/mol
LogP1.82
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride (PubChem CID 126790151) has the molecular formula C15H24ClFN2O4S and a molecular weight of 382.89 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride
PubChem CID126790151
Molecular FormulaC15H24ClFN2O4S
Molecular Weight382.89 g/mol
Exact Mass382.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1.Cl
InChIInChI=1S/C15H23FN2O4S.ClH/c1-15(2,10-17)18-23(19,20)12-3-4-14(13(16)9-12)22-11-5-7-21-8-6-11;/h3-4,9,11,18H,5-8,10,17H2,1-2H3;1H
InChIKeyCHOWAHHTBLWTGW-UHFFFAOYSA-N
XLogP1.82
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(oxan-4-yloxy)benzenesulfonyl chloride
CID 63935612
2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine
CID 117386204
3-amino-N-methyl-4-(oxan-4-yloxy)benzenesulfonamide
CID 61268267
N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 91659844
N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975663
N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 63194359
3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-3-methylbutanoic acid
CID 117477574
4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 110300909
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride
CID 119981749
N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide
CID 168652338
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
CID 119975780

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride (CID 126790151) is N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride is CC(C)(CN)NS(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride?
The InChIKey is CHOWAHHTBLWTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4S.ClH/c1-15(2,10-17)18-23(19,20)12-3-4-14(13(16)9-12)22-11-5-7-21-8-6-11;/h3-4,9,11,18H,5-8,10,17H2,1-2H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 126790151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).