2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride

C18H23Cl2N3O3S — CID 119679885

IUPAC2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(N)cc2)ccc1Cl.Cl
InChIInChI=1S/C18H22ClN3O3S.ClH/c1-3-22(4-2)26(24,25)17-12-15(9-10-16(17)19)21-18(23)11-13-5-7-14(20)8-6-13;/h5-10,12H,3-4,11,20H2,1-2H3,(H,21,23);1H
InChIKeyDWKVBHUNMYQSJQ-UHFFFAOYSA-N
MW432.37 g/mol
LogP3.56
Rot. Bonds7

About 2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride

2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride (PubChem CID 119679885) has the molecular formula C18H23Cl2N3O3S and a molecular weight of 432.37 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
PubChem CID119679885
Molecular FormulaC18H23Cl2N3O3S
Molecular Weight432.37 g/mol
Exact Mass431.08
IUPAC Name2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(N)cc2)ccc1Cl.Cl
InChIInChI=1S/C18H22ClN3O3S.ClH/c1-3-22(4-2)26(24,25)17-12-15(9-10-16(17)19)21-18(23)11-13-5-7-14(20)8-6-13;/h5-10,12H,3-4,11,20H2,1-2H3,(H,21,23);1H
InChIKeyDWKVBHUNMYQSJQ-UHFFFAOYSA-N
XLogP3.56
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 51618352
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119679881
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide
CID 99788498
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 78780498
4-[4-chloro-3-(diethylsulfamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133535
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511573
(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119679919
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8873029
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride (CID 119679885) is 2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride is CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(N)cc2)ccc1Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride?
The InChIKey is DWKVBHUNMYQSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S.ClH/c1-3-22(4-2)26(24,25)17-12-15(9-10-16(17)19)21-18(23)11-13-5-7-14(20)8-6-13;/h5-10,12H,3-4,11,20H2,1-2H3,(H,21,23);1H.
What are the key properties of 2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride has a molecular weight of 432.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119679885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).