N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide

C19H24N2O5S2 — CID 55890930

IUPACN-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCc1ccc(C)c(N(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H24N2O5S2/c1-15-4-5-16(2)19(14-15)20(3)27(22,23)17-6-8-18(9-7-17)28(24,25)21-10-12-26-13-11-21/h4-9,14H,10-13H2,1-3H3
InChIKeyGAUPNCIMPXNDLA-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.15
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 55890930) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID55890930
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC NameN-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCc1ccc(C)c(N(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H24N2O5S2/c1-15-4-5-16(2)19(14-15)20(3)27(22,23)17-6-8-18(9-7-17)28(24,25)21-10-12-26-13-11-21/h4-9,14H,10-13H2,1-3H3
InChIKeyGAUPNCIMPXNDLA-UHFFFAOYSA-N
XLogP2.15
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4151402
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane
CID 10839404
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 126190223
4-(4-methylphenyl)sulfonyl-1,4,7-oxadiazonane
CID 11098087
4,7,10,19-tetrakis-(4-methylphenyl)sulfonyl-1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane
CID 15094039
N-(2,5-dimethylphenyl)-N-ethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55592874
4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline
CID 110454136
4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine
CID 7458388
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide
CID 5178498

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 55890930) is N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide is Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is GAUPNCIMPXNDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-15-4-5-16(2)19(14-15)20(3)27(22,23)17-6-8-18(9-7-17)28(24,25)21-10-12-26-13-11-21/h4-9,14H,10-13H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 424.54 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55890930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).