N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride

C18H22Cl2N2O3S — CID 119970878

IUPACN-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
SMILESCl.NC1CCC(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2O3S.ClH/c19-17-3-1-2-4-18(17)24-15-9-11-16(12-10-15)25(22,23)21-14-7-5-13(20)6-8-14;/h1-4,9-14,21H,5-8,20H2;1H
InChIKeyGPFNKQMEWCXWGA-UHFFFAOYSA-N
MW417.36 g/mol
LogP4.10
Rot. Bonds5

About N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride

N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride (PubChem CID 119970878) has the molecular formula C18H22Cl2N2O3S and a molecular weight of 417.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
PubChem CID119970878
Molecular FormulaC18H22Cl2N2O3S
Molecular Weight417.36 g/mol
Exact Mass416.07
IUPAC NameN-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
SMILESCl.NC1CCC(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2O3S.ClH/c19-17-3-1-2-4-18(17)24-15-9-11-16(12-10-15)25(22,23)21-14-7-5-13(20)6-8-14;/h1-4,9-14,21H,5-8,20H2;1H
InChIKeyGPFNKQMEWCXWGA-UHFFFAOYSA-N
XLogP4.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
N-(4-aminocyclohexyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119970603
N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119972685
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974420
methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride
CID 119043406
4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
CID 3530960
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide
CID 141068088
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide
CID 59710547
4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride
CID 119970613
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride (CID 119970878) is N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride is Cl.NC1CCC(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride?
The InChIKey is GPFNKQMEWCXWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S.ClH/c19-17-3-1-2-4-18(17)24-15-9-11-16(12-10-15)25(22,23)21-14-7-5-13(20)6-8-14;/h1-4,9-14,21H,5-8,20H2;1H.
What are the key properties of N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride?
N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride has a molecular weight of 417.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119970878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).