4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C19H22N2O4S — CID 1095434

IUPAC4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-20(26(23,24)18-11-9-17(25-2)10-12-18)16-7-5-15(6-8-16)19(22)21-13-3-4-14-21/h5-12H,3-4,13-14H2,1-2H3
InChIKeyLNRHYGXGXFKQHY-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.76
Rot. Bonds5

About 4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 1095434) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID1095434
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-20(26(23,24)18-11-9-17(25-2)10-12-18)16-7-5-15(6-8-16)19(22)21-13-3-4-14-21/h5-12H,3-4,13-14H2,1-2H3
InChIKeyLNRHYGXGXFKQHY-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

Analyze 4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326
2-(4-Methoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 1091413
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
[3-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2492468
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 4789238
1-[4-(4-Acetylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonylpropan-1-one
CID 4112434
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-benzamide
CID 15859211
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-5-methyl-benzamide
CID 21310781
3-Diethylaminomethyl-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-benzamide
CID 21310789
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 1095434) is 4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is LNRHYGXGXFKQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-20(26(23,24)18-11-9-17(25-2)10-12-18)16-7-5-15(6-8-16)19(22)21-13-3-4-14-21/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]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 4-methoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1095434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).