N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide

C19H22N2O4S2 — CID 55869067

IUPACN-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCSCC3)ccc2C)cc1
InChIInChI=1S/C19H22N2O4S2/c1-14-3-4-15(19(22)21-9-11-26-12-10-21)13-18(14)27(23,24)20-16-5-7-17(25-2)8-6-16/h3-8,13,20H,9-12H2,1-2H3
InChIKeyDYXMNYZQIDSWFT-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.99
Rot. Bonds5

About N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide

N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide (PubChem CID 55869067) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide
PubChem CID55869067
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCSCC3)ccc2C)cc1
InChIInChI=1S/C19H22N2O4S2/c1-14-3-4-15(19(22)21-9-11-26-12-10-21)13-18(14)27(23,24)20-16-5-7-17(25-2)8-6-16/h3-8,13,20H,9-12H2,1-2H3
InChIKeyDYXMNYZQIDSWFT-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 126415422
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2441786
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 2982299
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 55370357
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 25390926
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 119376231

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide (CID 55869067) is N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCSCC3)ccc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is DYXMNYZQIDSWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-14-3-4-15(19(22)21-9-11-26-12-10-21)13-18(14)27(23,24)20-16-5-7-17(25-2)8-6-16/h3-8,13,20H,9-12H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide?
N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 406.53 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55869067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).