4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride

C18H23Cl2N3O3S — CID 120650528

IUPAC4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.Cl
InChIInChI=1S/C18H22ClN3O3S.ClH/c1-3-20-13(2)12-21-18(23)14-8-10-15(11-9-14)26(24,25)22-17-7-5-4-6-16(17)19;/h4-11,13,20,22H,3,12H2,1-2H3,(H,21,23);1H/t13-;/m1./s1
InChIKeyHEWMDBRDJMOROL-BTQNPOSSSA-N
MW432.37 g/mol
LogP3.29
Rot. Bonds8

About 4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride

4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride (PubChem CID 120650528) has the molecular formula C18H23Cl2N3O3S and a molecular weight of 432.37 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
PubChem CID120650528
Molecular FormulaC18H23Cl2N3O3S
Molecular Weight432.37 g/mol
Exact Mass431.08
IUPAC Name4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.Cl
InChIInChI=1S/C18H22ClN3O3S.ClH/c1-3-20-13(2)12-21-18(23)14-8-10-15(11-9-14)26(24,25)22-17-7-5-4-6-16(17)19;/h4-11,13,20,22H,3,12H2,1-2H3,(H,21,23);1H/t13-;/m1./s1
InChIKeyHEWMDBRDJMOROL-BTQNPOSSSA-N
XLogP3.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653123
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 4793513
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832379
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795
4-[(2-chlorophenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 55346393
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120651710
N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 120653889
3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
CID 97012345
N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
CID 46529076
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate
CID 8644902

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride (CID 120650528) is 4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.Cl.
What is the InChIKey of 4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The InChIKey is HEWMDBRDJMOROL-BTQNPOSSSA-N. The full InChI is InChI=1S/C18H22ClN3O3S.ClH/c1-3-20-13(2)12-21-18(23)14-8-10-15(11-9-14)26(24,25)22-17-7-5-4-6-16(17)19;/h4-11,13,20,22H,3,12H2,1-2H3,(H,21,23);1H/t13-;/m1./s1.
What are the key properties of 4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride has a molecular weight of 432.37 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120650528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).