(Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid

C24H24N2O4S — CID 19099582

IUPAC(Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(/C(=C/CCCC(=O)O)c3cccnc3)cc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-18-8-14-22(15-9-18)31(29,30)26-21-12-10-19(11-13-21)23(6-2-3-7-24(27)28)20-5-4-16-25-17-20/h4-6,8-17,26H,2-3,7H2,1H3,(H,27,28)/b23-6-
InChIKeyNOPNHMSYLBTLME-OUBWWKSTSA-N
MW436.53 g/mol
LogP4.88
Rot. Bonds9

About (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid

(Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid (PubChem CID 19099582) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid.

Molecular Properties

Compound Name(Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
PubChem CID19099582
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name(Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(/C(=C/CCCC(=O)O)c3cccnc3)cc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-18-8-14-22(15-9-18)31(29,30)26-21-12-10-19(11-13-21)23(6-2-3-7-24(27)28)20-5-4-16-25-17-20/h4-6,8-17,26H,2-3,7H2,1H3,(H,27,28)/b23-6-
InChIKeyNOPNHMSYLBTLME-OUBWWKSTSA-N
XLogP4.88
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.88
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

8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid
CID 57268349
6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54460875
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
(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
CID 13417263
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54065609
(Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 19099626
(E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 10002804
4-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3278229
(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
CID 13417329
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The IUPAC name of (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid (CID 19099582) is (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid.
What is the SMILES notation for (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The canonical SMILES for (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(/C(=C/CCCC(=O)O)c3cccnc3)cc2)cc1.
What is the InChIKey of (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The InChIKey is NOPNHMSYLBTLME-OUBWWKSTSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-18-8-14-22(15-9-18)31(29,30)26-21-12-10-19(11-13-21)23(6-2-3-7-24(27)28)20-5-4-16-25-17-20/h4-6,8-17,26H,2-3,7H2,1H3,(H,27,28)/b23-6-.
What are the key properties of (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
(Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid has a molecular weight of 436.53 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid is sourced from PubChem (CID 19099582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).