N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride

C17H23ClN2O4S — CID 119975574

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)NC(C)(C)CN)cc2)cc1.Cl
InChIInChI=1S/C17H22N2O4S.ClH/c1-17(2,12-18)19-24(20,21)16-10-8-15(9-11-16)23-14-6-4-13(22-3)5-7-14;/h4-11,19H,12,18H2,1-3H3;1H
InChIKeyYRCGLMBBTJTCRL-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.92
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride (PubChem CID 119975574) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
PubChem CID119975574
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)NC(C)(C)CN)cc2)cc1.Cl
InChIInChI=1S/C17H22N2O4S.ClH/c1-17(2,12-18)19-24(20,21)16-10-8-15(9-11-16)23-14-6-4-13(22-3)5-7-14;/h4-11,19H,12,18H2,1-3H3;1H
InChIKeyYRCGLMBBTJTCRL-UHFFFAOYSA-N
XLogP2.92
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 61133016
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 115309909
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779
2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine
CID 115045053
N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120709191
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
CID 119975780
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide
CID 55161784
6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 100505966
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride (CID 119975574) is N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride is COc1ccc(Oc2ccc(S(=O)(=O)NC(C)(C)CN)cc2)cc1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride?
The InChIKey is YRCGLMBBTJTCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S.ClH/c1-17(2,12-18)19-24(20,21)16-10-8-15(9-11-16)23-14-6-4-13(22-3)5-7-14;/h4-11,19H,12,18H2,1-3H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride has a molecular weight of 386.90 g/mol, XLogP of 2.92, 7 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)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119975574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).