8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid

C25H25ClN2O4S — CID 57268349

IUPAC8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid
SMILESO=C(O)CCCCCC=C(c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
InChIInChI=1S/C25H25ClN2O4S/c26-21-11-15-23(16-12-21)33(31,32)28-22-13-9-19(10-14-22)24(20-6-5-17-27-18-20)7-3-1-2-4-8-25(29)30/h5-7,9-18,28H,1-4,8H2,(H,29,30)
InChIKeyVWAHCFTVLUGBCM-UHFFFAOYSA-N
MW485.01 g/mol
LogP6.00
Rot. Bonds11

About 8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid

8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid (PubChem CID 57268349) has the molecular formula C25H25ClN2O4S and a molecular weight of 485.01 g/mol. Its IUPAC name is 8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid.

Molecular Properties

Compound Name8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid
PubChem CID57268349
Molecular FormulaC25H25ClN2O4S
Molecular Weight485.01 g/mol
Exact Mass484.12
IUPAC Name8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid
SMILESO=C(O)CCCCCC=C(c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
InChIInChI=1S/C25H25ClN2O4S/c26-21-11-15-23(16-12-21)33(31,32)28-22-13-9-19(10-14-22)24(20-6-5-17-27-18-20)7-3-1-2-4-8-25(29)30/h5-7,9-18,28H,1-4,8H2,(H,29,30)
InChIKeyVWAHCFTVLUGBCM-UHFFFAOYSA-N
XLogP6.00
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.01
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 19099582
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
CID 13417263
6-[3-(naphthalen-2-ylsulfonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54173583
(Z)-6-[3-(naphthalen-2-ylsulfonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 19099614
6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54460875
4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide
CID 139603403
(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
CID 13417329
6-[3-(naphthalen-1-ylsulfonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54239564
9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid
CID 10002506
6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54065609
4-[(E)-3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-3-pyridin-3-ylprop-2-enyl]benzoic acid
CID 10346995

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid?
The IUPAC name of 8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid (CID 57268349) is 8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid.
What is the SMILES notation for 8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid?
The canonical SMILES for 8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid is O=C(O)CCCCCC=C(c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1.
What is the InChIKey of 8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid?
The InChIKey is VWAHCFTVLUGBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4S/c26-21-11-15-23(16-12-21)33(31,32)28-22-13-9-19(10-14-22)24(20-6-5-17-27-18-20)7-3-1-2-4-8-25(29)30/h5-7,9-18,28H,1-4,8H2,(H,29,30).
What are the key properties of 8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid?
8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid has a molecular weight of 485.01 g/mol, XLogP of 6.00, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid is sourced from PubChem (CID 57268349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).