4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide

C14H20N2O4S — CID 65386859

IUPAC4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(C)C1
InChIInChI=1S/C14H20N2O4S/c1-3-20-13-5-4-11(21(15,18)19)8-12(13)14(17)16-7-6-10(2)9-16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,15,18,19)
InChIKeyIFUQTLNDOARYRX-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.21
Rot. Bonds4

About 4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide

4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 65386859) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID65386859
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(C)C1
InChIInChI=1S/C14H20N2O4S/c1-3-20-13-5-4-11(21(15,18)19)8-12(13)14(17)16-7-6-10(2)9-16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,15,18,19)
InChIKeyIFUQTLNDOARYRX-UHFFFAOYSA-N
XLogP1.21
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 62732706
4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60635809
cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
CID 65380431
4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576893
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934
4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120994866
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
CID 120816046
(5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 28690020
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994131
3-(3,5-dimethylazepane-1-carbonyl)-4,5-dimethylbenzenesulfonamide
CID 102560580
3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 115883710
N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46763995

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 65386859) is 4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide is CCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(C)C1.
What is the InChIKey of 4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is IFUQTLNDOARYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-20-13-5-4-11(21(15,18)19)8-12(13)14(17)16-7-6-10(2)9-16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,15,18,19).
What are the key properties of 4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65386859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).