N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide

C22H25ClN2O6S — CID 42924422

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C22H25ClN2O6S/c1-13-6-14(2)11-25(10-13)32(27,28)21-7-15(4-5-18(21)29-3)22(26)24-17-9-20-19(8-16(17)23)30-12-31-20/h4-5,7-9,13-14H,6,10-12H2,1-3H3,(H,24,26)
InChIKeySHLBKCNQZODTLD-UHFFFAOYSA-N
MW480.97 g/mol
LogP4.00
Rot. Bonds5

About N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide

N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide (PubChem CID 42924422) has the molecular formula C22H25ClN2O6S and a molecular weight of 480.97 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
PubChem CID42924422
Molecular FormulaC22H25ClN2O6S
Molecular Weight480.97 g/mol
Exact Mass480.11
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C22H25ClN2O6S/c1-13-6-14(2)11-25(10-13)32(27,28)21-7-15(4-5-18(21)29-3)22(26)24-17-9-20-19(8-16(17)23)30-12-31-20/h4-5,7-9,13-14H,6,10-12H2,1-3H3,(H,24,26)
InChIKeySHLBKCNQZODTLD-UHFFFAOYSA-N
XLogP4.00
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide
CID 26086200
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-[(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
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N'-(3-methylbutanoyl)benzohydrazide
CID 46423752
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-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 26905197
N-[(2,4-dimethoxyphenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 46590391
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 26878496

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide (CID 42924422) is N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc1S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
The InChIKey is SHLBKCNQZODTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O6S/c1-13-6-14(2)11-25(10-13)32(27,28)21-7-15(4-5-18(21)29-3)22(26)24-17-9-20-19(8-16(17)23)30-12-31-20/h4-5,7-9,13-14H,6,10-12H2,1-3H3,(H,24,26).
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide has a molecular weight of 480.97 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide is sourced from PubChem (CID 42924422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).