N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride

C16H27ClN2O3S — CID 119958914

IUPACN-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride
SMILESCCCOc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-2-12-21-14-6-8-15(9-7-14)22(19,20)18-13-16(17)10-4-3-5-11-16;/h6-9,18H,2-5,10-13,17H2,1H3;1H
InChIKeyYPQLZJBYTVMVDB-UHFFFAOYSA-N
MW362.92 g/mol
LogP2.84
Rot. Bonds7

About N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride (PubChem CID 119958914) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride
PubChem CID119958914
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride
SMILESCCCOc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-2-12-21-14-6-8-15(9-7-14)22(19,20)18-13-16(17)10-4-3-5-11-16;/h6-9,18H,2-5,10-13,17H2,1H3;1H
InChIKeyYPQLZJBYTVMVDB-UHFFFAOYSA-N
XLogP2.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
CID 43598214
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride
CID 119958825
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide
CID 120998690
N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 119958876
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide
CID 113411790
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride (CID 119958914) is N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride is CCCOc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1.Cl.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride?
The InChIKey is YPQLZJBYTVMVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-2-12-21-14-6-8-15(9-7-14)22(19,20)18-13-16(17)10-4-3-5-11-16;/h6-9,18H,2-5,10-13,17H2,1H3;1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119958914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).