2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid

C35H31N3O7S — CID 20602741

IUPAC2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(Oc2ccc3cc(OC4CCC(NS(=O)(=O)c5ccccc5)CC4)ccc3c2)nc1
InChIInChI=1S/C35H31N3O7S/c39-34(37-32-9-5-4-8-31(32)35(40)41)25-12-19-33(36-22-25)45-29-16-11-23-20-28(15-10-24(23)21-29)44-27-17-13-26(14-18-27)38-46(42,43)30-6-2-1-3-7-30/h1-12,15-16,19-22,26-27,38H,13-14,17-18H2,(H,37,39)(H,40,41)
InChIKeyVVJJZRSOKQLQSU-UHFFFAOYSA-N
MW637.71 g/mol
LogP6.65
Rot. Bonds10

About 2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid

2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid (PubChem CID 20602741) has the molecular formula C35H31N3O7S and a molecular weight of 637.71 g/mol. Its IUPAC name is 2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
PubChem CID20602741
Molecular FormulaC35H31N3O7S
Molecular Weight637.71 g/mol
Exact Mass637.19
IUPAC Name2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(Oc2ccc3cc(OC4CCC(NS(=O)(=O)c5ccccc5)CC4)ccc3c2)nc1
InChIInChI=1S/C35H31N3O7S/c39-34(37-32-9-5-4-8-31(32)35(40)41)25-12-19-33(36-22-25)45-29-16-11-23-20-28(15-10-24(23)21-29)44-27-17-13-26(14-18-27)38-46(42,43)30-6-2-1-3-7-30/h1-12,15-16,19-22,26-27,38H,13-14,17-18H2,(H,37,39)(H,40,41)
InChIKeyVVJJZRSOKQLQSU-UHFFFAOYSA-N
XLogP6.65
TPSA143.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.71
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

2-[[6-[6-[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
CID 20602737
2-[[6-[4-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]oxyphenoxy]pyridine-3-carbonyl]amino]benzoic acid
CID 20602689
2-[[6-[6-[4-(butylsulfonylamino)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
CID 20602744
2-[[6-[6-[4-(pyridine-4-carbonylamino)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
CID 20602752
2-[[6-[6-[4-[(4-bromobenzoyl)amino]cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
CID 20602725
2-[[6-[4-[4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclohexyl]oxyphenoxy]pyridine-3-carbonyl]amino]benzoic acid
CID 20602678
2-[[6-[4-[4-(3-methylbutanoylamino)cyclohexyl]oxyphenoxy]pyridine-3-carbonyl]amino]benzoic acid
CID 20602663
2-[[2-[6-[4-[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxyphenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602265
2-[[6-[4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxyphenoxy]pyridine-3-carbonyl]amino]benzoic acid
CID 20602673
2-[[2-[6-[6-(4-aminocyclohexyl)oxynaphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602417
2-[[6-[6-(6-anilino-6-oxohexoxy)naphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
CID 20602754
2-[[2-[6-[4-[4-[(6-chloropyridine-3-carbonyl)amino]cyclohexyl]oxyphenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602270

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid?
The IUPAC name of 2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid (CID 20602741) is 2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(Oc2ccc3cc(OC4CCC(NS(=O)(=O)c5ccccc5)CC4)ccc3c2)nc1.
What is the InChIKey of 2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid?
The InChIKey is VVJJZRSOKQLQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3O7S/c39-34(37-32-9-5-4-8-31(32)35(40)41)25-12-19-33(36-22-25)45-29-16-11-23-20-28(15-10-24(23)21-29)44-27-17-13-26(14-18-27)38-46(42,43)30-6-2-1-3-7-30/h1-12,15-16,19-22,26-27,38H,13-14,17-18H2,(H,37,39)(H,40,41).
What are the key properties of 2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid?
2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid has a molecular weight of 637.71 g/mol, XLogP of 6.65, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[6-[4-(benzenesulfonamido)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 20602741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).