N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide

C21H24Cl2N2O4S — CID 26086200

IUPACN-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C21H24Cl2N2O4S/c1-13-8-14(2)12-25(11-13)30(27,28)20-9-15(4-7-19(20)29-3)21(26)24-18-10-16(22)5-6-17(18)23/h4-7,9-10,13-14H,8,11-12H2,1-3H3,(H,24,26)/t13-,14+
InChIKeySPRVNQCZNNPMSV-OKILXGFUSA-N
MW471.41 g/mol
LogP4.92
Rot. Bonds5

About N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide

N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide (PubChem CID 26086200) has the molecular formula C21H24Cl2N2O4S and a molecular weight of 471.41 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide
PubChem CID26086200
Molecular FormulaC21H24Cl2N2O4S
Molecular Weight471.41 g/mol
Exact Mass470.08
IUPAC NameN-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C21H24Cl2N2O4S/c1-13-8-14(2)12-25(11-13)30(27,28)20-9-15(4-7-19(20)29-3)21(26)24-18-10-16(22)5-6-17(18)23/h4-7,9-10,13-14H,8,11-12H2,1-3H3,(H,24,26)/t13-,14+
InChIKeySPRVNQCZNNPMSV-OKILXGFUSA-N
XLogP4.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 42924422
N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55450949
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide
CID 46520248
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
CID 51279171
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N'-(3-methylbutanoyl)benzohydrazide
CID 46423752
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-prop-2-enylbenzamide
CID 51157554
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
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-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892199
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 16551113

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide (CID 26086200) is N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide?
The InChIKey is SPRVNQCZNNPMSV-OKILXGFUSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4S/c1-13-8-14(2)12-25(11-13)30(27,28)20-9-15(4-7-19(20)29-3)21(26)24-18-10-16(22)5-6-17(18)23/h4-7,9-10,13-14H,8,11-12H2,1-3H3,(H,24,26)/t13-,14+.
What are the key properties of N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide?
N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide has a molecular weight of 471.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide is sourced from PubChem (CID 26086200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).