6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid

C26H27ClN2O4S — CID 25195030

IUPAC6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(C(=O)O)cn3)S(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C26H27ClN2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)29(23-12-5-17(16-28-23)24(30)31)34(32,33)20-9-6-18(27)7-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
InChIKeyHNWJYTHSCUOIGR-UHFFFAOYSA-N
MW499.03 g/mol
LogP6.31
Rot. Bonds5

About 6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid

6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 25195030) has the molecular formula C26H27ClN2O4S and a molecular weight of 499.03 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID25195030
Molecular FormulaC26H27ClN2O4S
Molecular Weight499.03 g/mol
Exact Mass498.14
IUPAC Name6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(C(=O)O)cn3)S(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C26H27ClN2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)29(23-12-5-17(16-28-23)24(30)31)34(32,33)20-9-6-18(27)7-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
InChIKeyHNWJYTHSCUOIGR-UHFFFAOYSA-N
XLogP6.31
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.03
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

CID 25195031
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CID 46933689
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CID 44571568
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CID 86729965
CID 86729965
CID 44571531
CID 44571531
CID 44571532
CID 44571532
CID 44571643
CID 44571643
CID 60164228
CID 60164228
CID 87338213
CID 87338213
CID 146054825
CID 146054825
CID 53024614
CID 53024614

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid (CID 25195030) is 6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid is CC1(C)CCC(C)(C)c2cc(N(c3ccc(C(=O)O)cn3)S(=O)(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is HNWJYTHSCUOIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)29(23-12-5-17(16-28-23)24(30)31)34(32,33)20-9-6-18(27)7-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,30,31).
What are the key properties of 6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid?
6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 499.03 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)sulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 25195030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).