N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide

C26H21ClN2O3S — CID 160887319

IUPACN-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1)Cc1ccnc(Cl)c1
InChIInChI=1S/C26H21ClN2O3S/c27-26-18-20(14-15-28-26)17-23(30)16-19-10-12-22(13-11-19)29-33(31,32)25-9-5-4-8-24(25)21-6-2-1-3-7-21/h1-15,18,29H,16-17H2
InChIKeySNURHYRZOGIXRZ-UHFFFAOYSA-N
MW476.99 g/mol
LogP5.56
Rot. Bonds8

About N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide

N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide (PubChem CID 160887319) has the molecular formula C26H21ClN2O3S and a molecular weight of 476.99 g/mol. Its IUPAC name is N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide
PubChem CID160887319
Molecular FormulaC26H21ClN2O3S
Molecular Weight476.99 g/mol
Exact Mass476.10
IUPAC NameN-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1)Cc1ccnc(Cl)c1
InChIInChI=1S/C26H21ClN2O3S/c27-26-18-20(14-15-28-26)17-23(30)16-19-10-12-22(13-11-19)29-33(31,32)25-9-5-4-8-24(25)21-6-2-1-3-7-21/h1-15,18,29H,16-17H2
InChIKeySNURHYRZOGIXRZ-UHFFFAOYSA-N
XLogP5.56
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea
CID 88907437
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide
CID 86902692
1-[(3,5-dichlorophenyl)methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71140307
imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium
CID 123878774
2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetate
CID 7042231
3-[(2-phenylphenyl)sulfonylamino]benzoic acid
CID 52565138
1-[[4-(dimethylamino)phenyl]methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71139051
tert-butyl N-[[3-[[[4-[(2-phenylphenyl)sulfonylamino]phenyl]carbamoylamino]methyl]phenyl]methyl]carbamate
CID 149433895
2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid
CID 106523222
4-oxo-4-[3-[(2-phenylphenyl)sulfonylamino]phenyl]butanoic acid
CID 166231797
N-(2-hydroxyethyl)-2-phenylbenzenesulfonamide
CID 154485495
1-amino-3-(3-methyl-4-pyridinyl)-2-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]guanidine
CID 123385633

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide?
The IUPAC name of N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide (CID 160887319) is N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide.
What is the SMILES notation for N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide?
The canonical SMILES for N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide is O=C(Cc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1)Cc1ccnc(Cl)c1.
What is the InChIKey of N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide?
The InChIKey is SNURHYRZOGIXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O3S/c27-26-18-20(14-15-28-26)17-23(30)16-19-10-12-22(13-11-19)29-33(31,32)25-9-5-4-8-24(25)21-6-2-1-3-7-21/h1-15,18,29H,16-17H2.
What are the key properties of N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide?
N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide has a molecular weight of 476.99 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide is sourced from PubChem (CID 160887319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).