N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride

C13H21Cl3N2O2S — CID 119993027

IUPACN-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C13H20Cl2N2O2S.ClH/c1-2-3-4-13(8-16)17-20(18,19)9-10-5-11(14)7-12(15)6-10;/h5-7,13,17H,2-4,8-9,16H2,1H3;1H
InChIKeyBCULUYQIMAUODI-UHFFFAOYSA-N
MW375.75 g/mol
LogP3.35
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride (PubChem CID 119993027) has the molecular formula C13H21Cl3N2O2S and a molecular weight of 375.75 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
PubChem CID119993027
Molecular FormulaC13H21Cl3N2O2S
Molecular Weight375.75 g/mol
Exact Mass374.04
IUPAC NameN-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C13H20Cl2N2O2S.ClH/c1-2-3-4-13(8-16)17-20(18,19)9-10-5-11(14)7-12(15)6-10;/h5-7,13,17H,2-4,8-9,16H2,1H3;1H
InChIKeyBCULUYQIMAUODI-UHFFFAOYSA-N
XLogP3.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.75
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 80696702
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CID 80697698
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119993074
N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride
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1-amino-2-(sulfamoylamino)hexane
CID 114959420
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 80696971
N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 120875562
2-(1-aminohexan-2-ylsulfamoyl)acetic acid
CID 80698128
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
(E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide
CID 80698391

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride (CID 119993027) is N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride?
The InChIKey is BCULUYQIMAUODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S.ClH/c1-2-3-4-13(8-16)17-20(18,19)9-10-5-11(14)7-12(15)6-10;/h5-7,13,17H,2-4,8-9,16H2,1H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride has a molecular weight of 375.75 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119993027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).