N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide

C24H26ClN3O5S2 — CID 86273835

IUPACN-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(N(c3cccc(C)n3)S(=O)(=O)c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C24H26ClN3O5S2/c1-18-7-6-10-24(26-18)28(35(31,32)20-8-4-3-5-9-20)19-13-15-27(16-14-19)34(29,30)21-11-12-23(33-2)22(25)17-21/h3-12,17,19H,13-16H2,1-2H3
InChIKeyNWBZAAAJHGOAQP-UHFFFAOYSA-N
MW536.08 g/mol
LogP4.10
Rot. Bonds7

About N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide

N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 86273835) has the molecular formula C24H26ClN3O5S2 and a molecular weight of 536.08 g/mol. Its IUPAC name is N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID86273835
Molecular FormulaC24H26ClN3O5S2
Molecular Weight536.08 g/mol
Exact Mass535.10
IUPAC NameN-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(N(c3cccc(C)n3)S(=O)(=O)c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C24H26ClN3O5S2/c1-18-7-6-10-24(26-18)28(35(31,32)20-8-4-3-5-9-20)19-13-15-27(16-14-19)34(29,30)21-11-12-23(33-2)22(25)17-21/h3-12,17,19H,13-16H2,1-2H3
InChIKeyNWBZAAAJHGOAQP-UHFFFAOYSA-N
XLogP4.10
TPSA96.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.08
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 86274074
1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea
CID 86273592
4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 37479505
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 53130859
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458559
4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035278
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 53130639
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
[4-[(2-chlorophenyl)sulfonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-methylborinic acid
CID 123585914
(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 1457022
4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721471

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide (CID 86273835) is N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N2CCC(N(c3cccc(C)n3)S(=O)(=O)c3ccccc3)CC2)cc1Cl.
What is the InChIKey of N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is NWBZAAAJHGOAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O5S2/c1-18-7-6-10-24(26-18)28(35(31,32)20-8-4-3-5-9-20)19-13-15-27(16-14-19)34(29,30)21-11-12-23(33-2)22(25)17-21/h3-12,17,19H,13-16H2,1-2H3.
What are the key properties of N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 536.08 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 86273835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).