N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide

C21H14ClN3O4S — CID 59788609

IUPACN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESO=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ncco2)cc1
InChIInChI=1S/C21H14ClN3O4S/c22-16-3-6-19(18(13-16)20(26)14-7-9-23-10-8-14)25-30(27,28)17-4-1-15(2-5-17)21-24-11-12-29-21/h1-13,25H
InChIKeyNNCITNBVLCUINN-UHFFFAOYSA-N
MW439.88 g/mol
LogP4.42
Rot. Bonds6

About N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide

N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 59788609) has the molecular formula C21H14ClN3O4S and a molecular weight of 439.88 g/mol. Its IUPAC name is N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID59788609
Molecular FormulaC21H14ClN3O4S
Molecular Weight439.88 g/mol
Exact Mass439.04
IUPAC NameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESO=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ncco2)cc1
InChIInChI=1S/C21H14ClN3O4S/c22-16-3-6-19(18(13-16)20(26)14-7-9-23-10-8-14)25-30(27,28)17-4-1-15(2-5-17)21-24-11-12-29-21/h1-13,25H
InChIKeyNNCITNBVLCUINN-UHFFFAOYSA-N
XLogP4.42
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Chlorophenyl)-4-[4-(2-cyclopropyl-1,3-oxazol-5-YL)benzenesulfonyl]piperazine
CID 16027941
N-(3-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzene-1-sulfonamide
CID 16027949
N-(3-Chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-YL)benzene-1-sulfonamide
CID 20959049
N-(4-Chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-YL)benzene-1-sulfonamide
CID 20959052
N-(3-Chloro-4-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-YL)benzene-1-sulfonamide
CID 20959100
N-(2-Chloro-4-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-YL)benzene-1-sulfonamide
CID 20959104
N-(2-Chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-YL)benzene-1-sulfonamide
CID 20959107
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 164189173
N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 164619007
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 164619967
N-(4-chloro-3-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 164621783
N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 164625299

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide (CID 59788609) is N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide is O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ncco2)cc1.
What is the InChIKey of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is NNCITNBVLCUINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O4S/c22-16-3-6-19(18(13-16)20(26)14-7-9-23-10-8-14)25-30(27,28)17-4-1-15(2-5-17)21-24-11-12-29-21/h1-13,25H.
What are the key properties of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide?
N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 439.88 g/mol, XLogP of 4.42, 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)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59788609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).