N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

C18H22N2O5S2 — CID 7938577

IUPACN-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C
InChIInChI=1S/C18H22N2O5S2/c1-14-4-3-5-18(15(14)2)19-26(21,22)16-6-8-17(9-7-16)27(23,24)20-10-12-25-13-11-20/h3-9,19H,10-13H2,1-2H3
InChIKeyAMEFYFVWTQDOGH-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.13
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 7938577) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID7938577
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC NameN-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C
InChIInChI=1S/C18H22N2O5S2/c1-14-4-3-5-18(15(14)2)19-26(21,22)16-6-8-17(9-7-16)27(23,24)20-10-12-25-13-11-20/h3-9,19H,10-13H2,1-2H3
InChIKeyAMEFYFVWTQDOGH-UHFFFAOYSA-N
XLogP2.13
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8504701
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 3904128
N-(2-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 167792664
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide
CID 37317926
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2100125
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 43882681
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 4235954
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 3879264

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 7938577) is N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is AMEFYFVWTQDOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-14-4-3-5-18(15(14)2)19-26(21,22)16-6-8-17(9-7-16)27(23,24)20-10-12-25-13-11-20/h3-9,19H,10-13H2,1-2H3.
What are the key properties of N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 410.52 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 7938577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).