N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide

C19H23N3O4S — CID 119403580

IUPACN-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-21(17-5-3-4-6-18(17)26-2)27(24,25)16-9-7-15(8-10-16)19(23)22-13-11-20-12-14-22/h3-10,20H,11-14H2,1-2H3
InChIKeyCODQDSJEVYXQOD-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.57
Rot. Bonds5

About N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide

N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide (PubChem CID 119403580) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
PubChem CID119403580
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-21(17-5-3-4-6-18(17)26-2)27(24,25)16-9-7-15(8-10-16)19(23)22-13-11-20-12-14-22/h3-10,20H,11-14H2,1-2H3
InChIKeyCODQDSJEVYXQOD-UHFFFAOYSA-N
XLogP1.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670349
N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
CID 56537908
N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
CID 56535843
N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255421
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 16611942
N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119402234
N-(2-methoxyphenyl)-N-methyl-4-[(2R,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide
CID 41291693
(4-methylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403609
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595340

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide (CID 119403580) is N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCNCC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is CODQDSJEVYXQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-21(17-5-3-4-6-18(17)26-2)27(24,25)16-9-7-15(8-10-16)19(23)22-13-11-20-12-14-22/h3-10,20H,11-14H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide?
N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119403580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).