N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide

C17H22N2O3S — CID 119987959

IUPACN-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide
SMILESCc1cccc(Oc2ccc(S(=O)(=O)NCC(C)(C)N)cc2)c1
InChIInChI=1S/C17H22N2O3S/c1-13-5-4-6-15(11-13)22-14-7-9-16(10-8-14)23(20,21)19-12-17(2,3)18/h4-11,19H,12,18H2,1-3H3
InChIKeyZNTYMLVONOUKPH-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.80
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide

N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide (PubChem CID 119987959) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide
PubChem CID119987959
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide
SMILESCc1cccc(Oc2ccc(S(=O)(=O)NCC(C)(C)N)cc2)c1
InChIInChI=1S/C17H22N2O3S/c1-13-5-4-6-15(11-13)22-14-7-9-16(10-8-14)23(20,21)19-12-17(2,3)18/h4-11,19H,12,18H2,1-3H3
InChIKeyZNTYMLVONOUKPH-UHFFFAOYSA-N
XLogP2.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine
CID 54233286
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride
CID 119986545
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119988125
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide (CID 119987959) is N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide is Cc1cccc(Oc2ccc(S(=O)(=O)NCC(C)(C)N)cc2)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide?
The InChIKey is ZNTYMLVONOUKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-13-5-4-6-15(11-13)22-14-7-9-16(10-8-14)23(20,21)19-12-17(2,3)18/h4-11,19H,12,18H2,1-3H3.
What are the key properties of N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide?
N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide is sourced from PubChem (CID 119987959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).