3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C18H20N2O4S — CID 984905

IUPAC3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C18H20N2O4S/c1-24-16-8-5-9-17(13-16)25(22,23)19-15-7-4-6-14(12-15)18(21)20-10-2-3-11-20/h4-9,12-13,19H,2-3,10-11H2,1H3
InChIKeyKYBGSUOHVUMUQD-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.73
Rot. Bonds5

About 3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 984905) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID984905
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C18H20N2O4S/c1-24-16-8-5-9-17(13-16)25(22,23)19-15-7-4-6-14(12-15)18(21)20-10-2-3-11-20/h4-9,12-13,19H,2-3,10-11H2,1H3
InChIKeyKYBGSUOHVUMUQD-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
5-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2431964
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 4789238
2-(4-Methoxy-benzenesulfonylamino)-N-((S)-1-phenyl-propyl)-benzamide
CID 44327937
N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
CID 162657414
2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide
CID 162662428
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
4-Ethoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 1090677
N-(3-Methoxy-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1164167
N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 768881

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 984905) is 3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is KYBGSUOHVUMUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-16-8-5-9-17(13-16)25(22,23)19-15-7-4-6-14(12-15)18(21)20-10-2-3-11-20/h4-9,12-13,19H,2-3,10-11H2,1H3.
What are the key properties of 3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 984905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).