N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide

C19H18N2O4S — CID 4825814

IUPACN-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide
SMILESCN(c1ccc(OCC(=O)c2ccc[nH]2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18N2O4S/c1-21(26(23,24)17-6-3-2-4-7-17)15-9-11-16(12-10-15)25-14-19(22)18-8-5-13-20-18/h2-13,20H,14H2,1H3
InChIKeyBVLGFZHVUBMKAY-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.10
Rot. Bonds7

About N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide

N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide (PubChem CID 4825814) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide
PubChem CID4825814
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide
SMILESCN(c1ccc(OCC(=O)c2ccc[nH]2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18N2O4S/c1-21(26(23,24)17-6-3-2-4-7-17)15-9-11-16(12-10-15)25-14-19(22)18-8-5-13-20-18/h2-13,20H,14H2,1H3
InChIKeyBVLGFZHVUBMKAY-UHFFFAOYSA-N
XLogP3.10
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide
CID 17247085
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
CID 17247064
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
phenacyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate
CID 2357304
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 92649114
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30405340
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide
CID 17247035
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
CID 4882629
[4-[benzenesulfonyl(methyl)amino]phenyl] 2-(2-ethoxyphenoxy)acetate
CID 4812581
N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 42989070

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide (CID 4825814) is N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide is CN(c1ccc(OCC(=O)c2ccc[nH]2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide?
The InChIKey is BVLGFZHVUBMKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-21(26(23,24)17-6-3-2-4-7-17)15-9-11-16(12-10-15)25-14-19(22)18-8-5-13-20-18/h2-13,20H,14H2,1H3.
What are the key properties of N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide?
N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 4825814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).