3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide

C12H15ClN2O4S — CID 65375991

IUPAC3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1c(Cl)cc(C(=O)N2CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H15ClN2O4S/c1-8-10(13)6-9(7-11(8)20(14,17)18)12(16)15-2-4-19-5-3-15/h6-7H,2-5H2,1H3,(H2,14,17,18)
InChIKeyXCGKMAJJOLUAFU-UHFFFAOYSA-N
MW318.78 g/mol
LogP0.77
Rot. Bonds2

About 3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide

3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 65375991) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID65375991
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1c(Cl)cc(C(=O)N2CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H15ClN2O4S/c1-8-10(13)6-9(7-11(8)20(14,17)18)12(16)15-2-4-19-5-3-15/h6-7H,2-5H2,1H3,(H2,14,17,18)
InChIKeyXCGKMAJJOLUAFU-UHFFFAOYSA-N
XLogP0.77
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
3-chloro-4-methyl-5-sulfamoylbenzoyl chloride
CID 21394744
N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258264
2,5-dichloro-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 65375063
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
5-(azepane-1-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81291287
3-fluoro-2-methyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388971
4-(3,4-dimethyl-5-sulfamoylbenzoyl)morpholine-2-carboxylic acid
CID 119239894
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide (CID 65375991) is 3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide is Cc1c(Cl)cc(C(=O)N2CCOCC2)cc1S(N)(=O)=O.
What is the InChIKey of 3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is XCGKMAJJOLUAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c1-8-10(13)6-9(7-11(8)20(14,17)18)12(16)15-2-4-19-5-3-15/h6-7H,2-5H2,1H3,(H2,14,17,18).
What are the key properties of 3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide?
3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 318.78 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65375991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).