N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide

C21H25Cl2N3O4S — CID 55450949

IUPACN-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C21H25Cl2N3O4S/c1-12-6-13(2)11-26(10-12)31(28,29)19-7-14(4-5-18(19)30-3)21(27)25-15-8-16(22)20(24)17(23)9-15/h4-5,7-9,12-13H,6,10-11,24H2,1-3H3,(H,25,27)
InChIKeyWOIFITJJJXWEJB-UHFFFAOYSA-N
MW486.42 g/mol
LogP4.50
Rot. Bonds5

About N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide

N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide (PubChem CID 55450949) has the molecular formula C21H25Cl2N3O4S and a molecular weight of 486.42 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
PubChem CID55450949
Molecular FormulaC21H25Cl2N3O4S
Molecular Weight486.42 g/mol
Exact Mass485.09
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C21H25Cl2N3O4S/c1-12-6-13(2)11-26(10-12)31(28,29)19-7-14(4-5-18(19)30-3)21(27)25-15-8-16(22)20(24)17(23)9-15/h4-5,7-9,12-13H,6,10-11,24H2,1-3H3,(H,25,27)
InChIKeyWOIFITJJJXWEJB-UHFFFAOYSA-N
XLogP4.50
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 54.50
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-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide
CID 26086200
N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 42924422
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
CID 51279171
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide
CID 46520248
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N'-(3-methylbutanoyl)benzohydrazide
CID 46423752
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 26878496
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 4849252
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-prop-2-enylbenzamide
CID 51157554
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 26086684
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55408650
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide (CID 55450949) is N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
The InChIKey is WOIFITJJJXWEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O4S/c1-12-6-13(2)11-26(10-12)31(28,29)19-7-14(4-5-18(19)30-3)21(27)25-15-8-16(22)20(24)17(23)9-15/h4-5,7-9,12-13H,6,10-11,24H2,1-3H3,(H,25,27).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide has a molecular weight of 486.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide is sourced from PubChem (CID 55450949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).