methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride

C14H20Cl2N2O4S — CID 119043406

IUPACmethyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1Cl.Cl
InChIInChI=1S/C14H19ClN2O4S.ClH/c1-21-14(18)12-7-6-11(8-13(12)15)22(19,20)17-10-4-2-9(16)3-5-10;/h6-10,17H,2-5,16H2,1H3;1H
InChIKeySAVDNHLYGNFKAU-UHFFFAOYSA-N
MW383.30 g/mol
LogP2.10
Rot. Bonds4

About methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride

methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride (PubChem CID 119043406) has the molecular formula C14H20Cl2N2O4S and a molecular weight of 383.30 g/mol. Its IUPAC name is methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride
PubChem CID119043406
Molecular FormulaC14H20Cl2N2O4S
Molecular Weight383.30 g/mol
Exact Mass382.05
IUPAC Namemethyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1Cl.Cl
InChIInChI=1S/C14H19ClN2O4S.ClH/c1-21-14(18)12-7-6-11(8-13(12)15)22(19,20)17-10-4-2-9(16)3-5-10;/h6-10,17H,2-5,16H2,1H3;1H
InChIKeySAVDNHLYGNFKAU-UHFFFAOYSA-N
XLogP2.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(1R,2S)-2-(aminomethyl)cyclohexyl]sulfamoyl]-2-chlorobenzoate
CID 124687158
methyl 2-chloro-4-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 120724810
N-(4-aminocyclohexyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119970603
N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
CID 62319082
methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 119970907
4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride
CID 119970613
2-chloro-4-[(3-methylcyclopentyl)sulfamoyl]benzenecarbothioamide
CID 114546629
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
methyl 2-chloro-4-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119043378
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
CID 119968215
N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119970503
N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119970878

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride?
The IUPAC name of methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride (CID 119043406) is methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride?
The canonical SMILES for methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1Cl.Cl.
What is the InChIKey of methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride?
The InChIKey is SAVDNHLYGNFKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S.ClH/c1-21-14(18)12-7-6-11(8-13(12)15)22(19,20)17-10-4-2-9(16)3-5-10;/h6-10,17H,2-5,16H2,1H3;1H.
What are the key properties of methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride?
methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride has a molecular weight of 383.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride is sourced from PubChem (CID 119043406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).