4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide

C22H15Cl2N3O4S — CID 58268348

IUPAC4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2-c2ncco2)ccc1Cl
InChIInChI=1S/C22H15Cl2N3O4S/c1-13-10-15(6-7-18(13)24)32(29,30)27-19-11-14(23)12-26-20(19)21(28)16-4-2-3-5-17(16)22-25-8-9-31-22/h2-12,27H,1H3
InChIKeyPOOFLUJEUKLNGG-UHFFFAOYSA-N
MW488.35 g/mol
LogP5.38
Rot. Bonds6

About 4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide

4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 58268348) has the molecular formula C22H15Cl2N3O4S and a molecular weight of 488.35 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID58268348
Molecular FormulaC22H15Cl2N3O4S
Molecular Weight488.35 g/mol
Exact Mass487.02
IUPAC Name4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2-c2ncco2)ccc1Cl
InChIInChI=1S/C22H15Cl2N3O4S/c1-13-10-15(6-7-18(13)24)32(29,30)27-19-11-14(23)12-26-20(19)21(28)16-4-2-3-5-17(16)22-25-8-9-31-22/h2-12,27H,1H3
InChIKeyPOOFLUJEUKLNGG-UHFFFAOYSA-N
XLogP5.38
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.35
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268125
N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 58268235
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoic acid;methane;methyl 2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoate
CID 159754215
2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
CID 143610397
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
CID 58268152

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide (CID 58268348) is 4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2-c2ncco2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is POOFLUJEUKLNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O4S/c1-13-10-15(6-7-18(13)24)32(29,30)27-19-11-14(23)12-26-20(19)21(28)16-4-2-3-5-17(16)22-25-8-9-31-22/h2-12,27H,1H3.
What are the key properties of 4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide?
4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 488.35 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 58268348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).