N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride

C18H24ClN3O4S — CID 119419750

IUPACN-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1N.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-12(2)21(3)26(23,24)15-7-5-6-13(10-15)18(22)20-14-8-9-17(25-4)16(19)11-14;/h5-12H,19H2,1-4H3,(H,20,22);1H
InChIKeyHGPVFDHKTTXKOU-UHFFFAOYSA-N
MW413.93 g/mol
LogP2.98
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119419750) has the molecular formula C18H24ClN3O4S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
PubChem CID119419750
Molecular FormulaC18H24ClN3O4S
Molecular Weight413.93 g/mol
Exact Mass413.12
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1N.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-12(2)21(3)26(23,24)15-7-5-6-13(10-15)18(22)20-14-8-9-17(25-4)16(19)11-14;/h5-12H,19H2,1-4H3,(H,20,22);1H
InChIKeyHGPVFDHKTTXKOU-UHFFFAOYSA-N
XLogP2.98
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26696266
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
N-(3-amino-4-methoxyphenyl)-3-iodobenzamide
CID 43599948
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
CID 43599838
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26499284
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 26621722
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
1-N-(3-amino-4-methoxyphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119419491
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119420241

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride (CID 119419750) is N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride is COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is HGPVFDHKTTXKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S.ClH/c1-12(2)21(3)26(23,24)15-7-5-6-13(10-15)18(22)20-14-8-9-17(25-4)16(19)11-14;/h5-12H,19H2,1-4H3,(H,20,22);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119419750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).