6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide

C27H31ClN4O4S — CID 164627228

IUPAC6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide
SMILESCCC(=O)c1ccc(Nc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C27H31ClN4O4S/c1-4-26(33)19-5-9-21(10-6-19)30-25-17-24(37(34,35)31(2)3)18-29-27(25)32-15-13-23(14-16-32)36-22-11-7-20(28)8-12-22/h5-12,17-18,23,30H,4,13-16H2,1-3H3
InChIKeyMELQEPWVVSAOGO-UHFFFAOYSA-N
MW543.09 g/mol
LogP5.37
Rot. Bonds9

About 6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide

6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide (PubChem CID 164627228) has the molecular formula C27H31ClN4O4S and a molecular weight of 543.09 g/mol. Its IUPAC name is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide
PubChem CID164627228
Molecular FormulaC27H31ClN4O4S
Molecular Weight543.09 g/mol
Exact Mass542.18
IUPAC Name6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide
SMILESCCC(=O)c1ccc(Nc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C27H31ClN4O4S/c1-4-26(33)19-5-9-21(10-6-19)30-25-17-24(37(34,35)31(2)3)18-29-27(25)32-15-13-23(14-16-32)36-22-11-7-20(28)8-12-22/h5-12,17-18,23,30H,4,13-16H2,1-3H3
InChIKeyMELQEPWVVSAOGO-UHFFFAOYSA-N
XLogP5.37
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.09
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 146613773
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]amino]-N,N-dimethylpyridine-3-sulfonamide
CID 146613776
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 164611706
6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propoxyanilino)pyridine-3-sulfonamide
CID 164613148
6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylphenyl)pyridine-3-sulfonamide
CID 164618436
N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 3239411
4-ethoxy-N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 16287039
N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide
CID 46084520
4-chloro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridin-3-yl]sulfonyl-2-(trifluoromethyl)benzamide
CID 24955866
4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide
CID 24955870
2-chloro-4-fluoro-N-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]benzamide
CID 24956231
4-[5-amino-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridin-3-yl]-2-chloro-N,N-dimethylbenzamide
CID 145309748

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide?
The IUPAC name of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide (CID 164627228) is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide is CCC(=O)c1ccc(Nc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide?
The InChIKey is MELQEPWVVSAOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O4S/c1-4-26(33)19-5-9-21(10-6-19)30-25-17-24(37(34,35)31(2)3)18-29-27(25)32-15-13-23(14-16-32)36-22-11-7-20(28)8-12-22/h5-12,17-18,23,30H,4,13-16H2,1-3H3.
What are the key properties of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide?
6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide has a molecular weight of 543.09 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 164627228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).