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

C19H22N2O4S — CID 27670349

IUPACN-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-20(17-7-3-4-8-18(17)25-2)26(23,24)16-11-9-15(10-12-16)19(22)21-13-5-6-14-21/h3-4,7-12H,5-6,13-14H2,1-2H3
InChIKeyAMYKKKUKDHWXJD-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.76
Rot. Bonds5

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

N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 27670349) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID27670349
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-20(17-7-3-4-8-18(17)25-2)26(23,24)16-11-9-15(10-12-16)19(22)21-13-5-6-14-21/h3-4,7-12H,5-6,13-14H2,1-2H3
InChIKeyAMYKKKUKDHWXJD-UHFFFAOYSA-N
XLogP2.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
CID 56537908
N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119403580
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
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 16611942
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4846894
(2-oxocyclohexyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 3878096
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 41105030
N-(2-methoxyphenyl)-N-methyl-4-[(2R,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide
CID 41291693
[(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-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 27670349) is N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is AMYKKKUKDHWXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-20(17-7-3-4-8-18(17)25-2)26(23,24)16-11-9-15(10-12-16)19(22)21-13-5-6-14-21/h3-4,7-12H,5-6,13-14H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 27670349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).