4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide

C21H17Cl2N3O4S — CID 59485413

IUPAC4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N2CCOc3cccnc32)ccc1Cl
InChIInChI=1S/C21H17Cl2N3O4S/c1-13-11-15(5-7-17(13)23)31(28,29)25-18-12-14(22)4-6-16(18)21(27)26-9-10-30-19-3-2-8-24-20(19)26/h2-8,11-12,25H,9-10H2,1H3
InChIKeyHFZXHFRFGGOJFJ-UHFFFAOYSA-N
MW478.36 g/mol
LogP4.54
Rot. Bonds4

About 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide

4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 59485413) has the molecular formula C21H17Cl2N3O4S and a molecular weight of 478.36 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide
PubChem CID59485413
Molecular FormulaC21H17Cl2N3O4S
Molecular Weight478.36 g/mol
Exact Mass477.03
IUPAC Name4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N2CCOc3cccnc32)ccc1Cl
InChIInChI=1S/C21H17Cl2N3O4S/c1-13-11-15(5-7-17(13)23)31(28,29)25-18-12-14(22)4-6-16(18)21(27)26-9-10-30-19-3-2-8-24-20(19)26/h2-8,11-12,25H,9-10H2,1H3
InChIKeyHFZXHFRFGGOJFJ-UHFFFAOYSA-N
XLogP4.54
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519383
N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268125
4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 143610419
4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000922
4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 55604034
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55767362
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22518919
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093718
methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate
CID 58268147
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide (CID 59485413) is 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N2CCOc3cccnc32)ccc1Cl.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is HFZXHFRFGGOJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O4S/c1-13-11-15(5-7-17(13)23)31(28,29)25-18-12-14(22)4-6-16(18)21(27)26-9-10-30-19-3-2-8-24-20(19)26/h2-8,11-12,25H,9-10H2,1H3.
What are the key properties of 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide?
4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 478.36 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 59485413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).