ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride

C14H23ClN2O4S — CID 120709189

IUPACethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(C)c(S(=O)(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-5-20-13(17)11-7-6-10(2)12(8-11)21(18,19)16-14(3,4)9-15;/h6-8,16H,5,9,15H2,1-4H3;1H
InChIKeyOLSDWQKEHRRFPC-UHFFFAOYSA-N
MW350.87 g/mol
LogP1.61
Rot. Bonds6

About ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride

ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride (PubChem CID 120709189) has the molecular formula C14H23ClN2O4S and a molecular weight of 350.87 g/mol. Its IUPAC name is ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride
PubChem CID120709189
Molecular FormulaC14H23ClN2O4S
Molecular Weight350.87 g/mol
Exact Mass350.11
IUPAC Nameethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(C)c(S(=O)(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-5-20-13(17)11-7-6-10(2)12(8-11)21(18,19)16-14(3,4)9-15;/h6-8,16H,5,9,15H2,1-4H3;1H
InChIKeyOLSDWQKEHRRFPC-UHFFFAOYSA-N
XLogP1.61
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
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ethyl 3-(3-aminopropylsulfamoyl)-4-methylbenzoate
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N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
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ethyl 4-methyl-3-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
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CID 119975386
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
ethyl 3-[2-(4-aminophenyl)ethylsulfamoyl]-4-methylbenzoate;hydrochloride
CID 120715587
ethyl 3-(2-methylbutan-2-ylsulfamoyl)benzoate
CID 60610967
ethyl 4-(ethylsulfamoyl)-3-methylbenzoate
CID 54478555
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119975810
ethyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 120708944

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride?
The IUPAC name of ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride (CID 120709189) is ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride.
What is the SMILES notation for ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride?
The canonical SMILES for ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride is CCOC(=O)c1ccc(C)c(S(=O)(=O)NC(C)(C)CN)c1.Cl.
What is the InChIKey of ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride?
The InChIKey is OLSDWQKEHRRFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S.ClH/c1-5-20-13(17)11-7-6-10(2)12(8-11)21(18,19)16-14(3,4)9-15;/h6-8,16H,5,9,15H2,1-4H3;1H.
What are the key properties of ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride?
ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride is sourced from PubChem (CID 120709189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).