N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide

C25H26ClN3O4S — CID 143141263

IUPACN-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)NC3=C(C(=O)c4ccncc4)C=C(Cl)C=CC3)cc2)CC(C)O1
InChIInChI=1S/C25H26ClN3O4S/c1-17-15-29(16-18(2)33-17)21-6-8-22(9-7-21)34(31,32)28-24-5-3-4-20(26)14-23(24)25(30)19-10-12-27-13-11-19/h3-4,6-14,17-18,28H,5,15-16H2,1-2H3
InChIKeyDJHVVKVARVFIQC-UHFFFAOYSA-N
MW500.02 g/mol
LogP4.19
Rot. Bonds6

About N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide

N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide (PubChem CID 143141263) has the molecular formula C25H26ClN3O4S and a molecular weight of 500.02 g/mol. Its IUPAC name is N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide
PubChem CID143141263
Molecular FormulaC25H26ClN3O4S
Molecular Weight500.02 g/mol
Exact Mass499.13
IUPAC NameN-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)NC3=C(C(=O)c4ccncc4)C=C(Cl)C=CC3)cc2)CC(C)O1
InChIInChI=1S/C25H26ClN3O4S/c1-17-15-29(16-18(2)33-17)21-6-8-22(9-7-21)34(31,32)28-24-5-3-4-20(26)14-23(24)25(30)19-10-12-27-13-11-19/h3-4,6-14,17-18,28H,5,15-16H2,1-2H3
InChIKeyDJHVVKVARVFIQC-UHFFFAOYSA-N
XLogP4.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide 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

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772
N-[4-chloro-2-(6-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide
CID 59788778
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102935310
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide
CID 49151791
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102938730
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 49202639
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 18108400
2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine
CID 102937003
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630106
(2R,6R)-2,6-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]morpholine-4-carbothioamide
CID 2209033

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide (CID 143141263) is N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide is CC1CN(c2ccc(S(=O)(=O)NC3=C(C(=O)c4ccncc4)C=C(Cl)C=CC3)cc2)CC(C)O1.
What is the InChIKey of N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide?
The InChIKey is DJHVVKVARVFIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S/c1-17-15-29(16-18(2)33-17)21-6-8-22(9-7-21)34(31,32)28-24-5-3-4-20(26)14-23(24)25(30)19-10-12-27-13-11-19/h3-4,6-14,17-18,28H,5,15-16H2,1-2H3.
What are the key properties of N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide?
N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide has a molecular weight of 500.02 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyridine-4-carbonyl)cyclohepta-1,3,5-trien-1-yl]-4-(2,6-dimethylmorpholin-4-yl)benzenesulfonamide is sourced from PubChem (CID 143141263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).