methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate

C14H21ClN2O4S — CID 124616613

IUPACmethyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate
SMILESCCCC[C@H](CN)NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1
InChIInChI=1S/C14H21ClN2O4S/c1-3-4-5-10(9-16)17-22(19,20)11-6-7-12(13(15)8-11)14(18)21-2/h6-8,10,17H,3-5,9,16H2,1-2H3/t10-/m1/s1
InChIKeyLWMBIXPAMLMGDV-SNVBAGLBSA-N
MW348.85 g/mol
LogP1.92
Rot. Bonds8

About methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate

methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate (PubChem CID 124616613) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate
PubChem CID124616613
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Namemethyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate
SMILESCCCC[C@H](CN)NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1
InChIInChI=1S/C14H21ClN2O4S/c1-3-4-5-10(9-16)17-22(19,20)11-6-7-12(13(15)8-11)14(18)21-2/h6-8,10,17H,3-5,9,16H2,1-2H3/t10-/m1/s1
InChIKeyLWMBIXPAMLMGDV-SNVBAGLBSA-N
XLogP1.92
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate with MolForge

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Related Compounds

N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119993347
5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119993235
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
ethyl 5-(1-aminohexan-2-ylsulfamoyl)-2-methyl-3-nitrobenzoate
CID 119993010
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119993030
methyl 2-chloro-4-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119043378
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65192963
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate?
The IUPAC name of methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate (CID 124616613) is methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate.
What is the SMILES notation for methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate?
The canonical SMILES for methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate is CCCC[C@H](CN)NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1.
What is the InChIKey of methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate?
The InChIKey is LWMBIXPAMLMGDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-3-4-5-10(9-16)17-22(19,20)11-6-7-12(13(15)8-11)14(18)21-2/h6-8,10,17H,3-5,9,16H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate?
methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate has a molecular weight of 348.85 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate is sourced from PubChem (CID 124616613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).