N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide

C20H17ClN2O3S — CID 58979554

IUPACN-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccn2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-2-14-6-9-16(10-7-14)27(25,26)23-18-11-8-15(21)13-17(18)20(24)19-5-3-4-12-22-19/h3-13,23H,2H2,1H3
InChIKeyLUJKPKDOMZALNW-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.33
Rot. Bonds6

About N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide

N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide (PubChem CID 58979554) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide
PubChem CID58979554
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccn2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-2-14-6-9-16(10-7-14)27(25,26)23-18-11-8-15(21)13-17(18)20(24)19-5-3-4-12-22-19/h3-13,23H,2H2,1H3
InChIKeyLUJKPKDOMZALNW-UHFFFAOYSA-N
XLogP4.33
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorobenzoyl)-4-methylphenyl]-4-ethylbenzenesulfonamide
CID 70842369
N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
CID 58883582
N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-(iodomethyl)benzenesulfonamide
CID 89372827
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
CID 11724797
N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane
CID 90942429
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
CID 22202182
3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide
CID 143609958

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide (CID 58979554) is N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccn2)cc1.
What is the InChIKey of N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide?
The InChIKey is LUJKPKDOMZALNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-2-14-6-9-16(10-7-14)27(25,26)23-18-11-8-15(21)13-17(18)20(24)19-5-3-4-12-22-19/h3-13,23H,2H2,1H3.
What are the key properties of N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide?
N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide has a molecular weight of 400.89 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 58979554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).