N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride

C18H23ClN2O3S — CID 119986545

IUPACN-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride
SMILESCc1cccc(Oc2ccc(S(=O)(=O)NC(CN)C3CC3)cc2)c1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-13-3-2-4-16(11-13)23-15-7-9-17(10-8-15)24(21,22)20-18(12-19)14-5-6-14;/h2-4,7-11,14,18,20H,5-6,12,19H2,1H3;1H
InChIKeyJUBNOVDVMPSMGN-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.22
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride (PubChem CID 119986545) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride
PubChem CID119986545
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride
SMILESCc1cccc(Oc2ccc(S(=O)(=O)NC(CN)C3CC3)cc2)c1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-13-3-2-4-16(11-13)23-15-7-9-17(10-8-15)24(21,22)20-18(12-19)14-5-6-14;/h2-4,7-11,14,18,20H,5-6,12,19H2,1H3;1H
InChIKeyJUBNOVDVMPSMGN-UHFFFAOYSA-N
XLogP3.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 65188769
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119987079
N-(2-amino-2-methylpropyl)-4-(3-methylphenoxy)benzenesulfonamide
CID 119987959
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119986985
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 119986704

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride (CID 119986545) is N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride is Cc1cccc(Oc2ccc(S(=O)(=O)NC(CN)C3CC3)cc2)c1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride?
The InChIKey is JUBNOVDVMPSMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S.ClH/c1-13-3-2-4-16(11-13)23-15-7-9-17(10-8-15)24(21,22)20-18(12-19)14-5-6-14;/h2-4,7-11,14,18,20H,5-6,12,19H2,1H3;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride has a molecular weight of 382.91 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119986545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).