3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide

C19H21N3O7S2 — CID 16761701

IUPAC3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21N3O7S2/c1-13-3-4-14(11-18(13)31(26,27)22-7-9-28-10-8-22)20-30(24,25)15-5-6-17-16(12-15)21(2)19(23)29-17/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyALLDXYKLBQJDRV-UHFFFAOYSA-N
MW467.53 g/mol
LogP1.26
Rot. Bonds5

About 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide

3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 16761701) has the molecular formula C19H21N3O7S2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID16761701
Molecular FormulaC19H21N3O7S2
Molecular Weight467.53 g/mol
Exact Mass467.08
IUPAC Name3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21N3O7S2/c1-13-3-4-14(11-18(13)31(26,27)22-7-9-28-10-8-22)20-30(24,25)15-5-6-17-16(12-15)21(2)19(23)29-17/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyALLDXYKLBQJDRV-UHFFFAOYSA-N
XLogP1.26
TPSA127.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide with MolForge

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713260
4-fluoro-3-methyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 100696551
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 70124119
1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110601933
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954
4-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26978988
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760854
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 42992279
3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4691629
3-ethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100726721
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 16761701) is 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is ALLDXYKLBQJDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O7S2/c1-13-3-4-14(11-18(13)31(26,27)22-7-9-28-10-8-22)20-30(24,25)15-5-6-17-16(12-15)21(2)19(23)29-17/h3-6,11-12,20H,7-10H2,1-2H3.
What are the key properties of 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide?
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 467.53 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 16761701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).