3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide

C17H17ClN2O4S — CID 110363640

IUPAC3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3=O)cc2)cc1Cl
InChIInChI=1S/C17H17ClN2O4S/c1-12-2-7-15(10-16(12)18)25(22,23)19-13-3-5-14(6-4-13)20-8-9-24-11-17(20)21/h2-7,10,19H,8-9,11H2,1H3
InChIKeyMYYIXIIAPGILHY-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.81
Rot. Bonds4

About 3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide

3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide (PubChem CID 110363640) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
PubChem CID110363640
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3=O)cc2)cc1Cl
InChIInChI=1S/C17H17ClN2O4S/c1-12-2-7-15(10-16(12)18)25(22,23)19-13-3-5-14(6-4-13)20-8-9-24-11-17(20)21/h2-7,10,19H,8-9,11H2,1H3
InChIKeyMYYIXIIAPGILHY-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110420138
N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508
N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372468
5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]thiophene-2-sulfonamide
CID 110363635
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258307
1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363597
3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389543
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide
CID 110363609
3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873996
N-(2-ethylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372480

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide (CID 110363640) is 3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3=O)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is MYYIXIIAPGILHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-12-2-7-15(10-16(12)18)25(22,23)19-13-3-5-14(6-4-13)20-8-9-24-11-17(20)21/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide?
3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110363640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).