2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid

C25H27ClN2O4S — CID 68672777

IUPAC2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid
SMILESO=C(O)C(CCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1)Cc1ccccc1
InChIInChI=1S/C25H27ClN2O4S/c26-23-11-13-24(14-12-23)33(31,32)28-18-22(21-10-5-15-27-17-21)9-4-8-20(25(29)30)16-19-6-2-1-3-7-19/h1-3,5-7,10-15,17,20,22,28H,4,8-9,16,18H2,(H,29,30)
InChIKeyBBIZHKZLJMRQSZ-UHFFFAOYSA-N
MW487.02 g/mol
LogP4.91
Rot. Bonds12

About 2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid

2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid (PubChem CID 68672777) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid.

Molecular Properties

Compound Name2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid
PubChem CID68672777
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid
SMILESO=C(O)C(CCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1)Cc1ccccc1
InChIInChI=1S/C25H27ClN2O4S/c26-23-11-13-24(14-12-23)33(31,32)28-18-22(21-10-5-15-27-17-21)9-4-8-20(25(29)30)16-19-6-2-1-3-7-19/h1-3,5-7,10-15,17,20,22,28H,4,8-9,16,18H2,(H,29,30)
InChIKeyBBIZHKZLJMRQSZ-UHFFFAOYSA-N
XLogP4.91
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride
CID 45262145
9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid
CID 10002506
9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride
CID 45262201
methyl 3-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexan-2-yl]phenyl]propanoate
CID 139700235
2-[8-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-yloctan-4-yl]sulfanylacetic acid
CID 11754506
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780
methyl 8-[(4-nitrophenyl)sulfonylamino]-7-pyridin-3-yloctanoate
CID 10478117
methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate
CID 15232186
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
CID 42272396
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
3-[3-[(4-chlorophenyl)sulfonylamino]propoxy]-7-pyridin-3-ylheptanoic acid
CID 57232810
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylethanesulfonamide
CID 21002129

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid?
The IUPAC name of 2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid (CID 68672777) is 2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid.
What is the SMILES notation for 2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid?
The canonical SMILES for 2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid is O=C(O)C(CCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid?
The InChIKey is BBIZHKZLJMRQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c26-23-11-13-24(14-12-23)33(31,32)28-18-22(21-10-5-15-27-17-21)9-4-8-20(25(29)30)16-19-6-2-1-3-7-19/h1-3,5-7,10-15,17,20,22,28H,4,8-9,16,18H2,(H,29,30).
What are the key properties of 2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid?
2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid has a molecular weight of 487.02 g/mol, XLogP of 4.91, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid is sourced from PubChem (CID 68672777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).