N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride

C16H27ClN2O2S — CID 119982347

IUPACN-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1ccc(C2CCCCC2)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-13(12-17)18(2)21(19,20)16-10-8-15(9-11-16)14-6-4-3-5-7-14;/h8-11,13-14H,3-7,12,17H2,1-2H3;1H
InChIKeyIJSFGGWAJDPIFP-UHFFFAOYSA-N
MW346.92 g/mol
LogP3.12
Rot. Bonds5

About N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119982347) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119982347
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC NameN-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1ccc(C2CCCCC2)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-13(12-17)18(2)21(19,20)16-10-8-15(9-11-16)14-6-4-3-5-7-14;/h8-11,13-14H,3-7,12,17H2,1-2H3;1H
InChIKeyIJSFGGWAJDPIFP-UHFFFAOYSA-N
XLogP3.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(1-aminopropan-2-yl)-1-N-cyclopropyl-4-N-methylbenzene-1,4-disulfonamide
CID 119982801
2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 17470000
N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
CID 119982419
N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 119982843
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119982559
methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate
CID 119982539
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119982527
CID 67861960
CID 67861960
N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119982575
[2-(4-cyclohexylphenyl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 3684891
N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide
CID 63731804

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride (CID 119982347) is N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride is CC(CN)N(C)S(=O)(=O)c1ccc(C2CCCCC2)cc1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is IJSFGGWAJDPIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-13(12-17)18(2)21(19,20)16-10-8-15(9-11-16)14-6-4-3-5-7-14;/h8-11,13-14H,3-7,12,17H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119982347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).