5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide

C13H21N3O3S — CID 103287799

IUPAC5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1OCCN1CCCC1
InChIInChI=1S/C13H21N3O3S/c1-15-20(17,18)13-10-11(14)4-5-12(13)19-9-8-16-6-2-3-7-16/h4-5,10,15H,2-3,6-9,14H2,1H3
InChIKeyOWXCCGBXHIHZFG-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.65
Rot. Bonds6

About 5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide

5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide (PubChem CID 103287799) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
PubChem CID103287799
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1OCCN1CCCC1
InChIInChI=1S/C13H21N3O3S/c1-15-20(17,18)13-10-11(14)4-5-12(13)19-9-8-16-6-2-3-7-16/h4-5,10,15H,2-3,6-9,14H2,1H3
InChIKeyOWXCCGBXHIHZFG-UHFFFAOYSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
CID 103287793
3-(difluoromethyl)-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 63736374
4-fluoro-3-(2-piperidin-1-ylethoxy)aniline
CID 139983014
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylbenzenesulfonamide
CID 61242109
5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide
CID 103287806
5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride
CID 82910013
5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 103287848
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide
CID 103286939
3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070469
5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide
CID 103287840

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide (CID 103287799) is 5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1OCCN1CCCC1.
What is the InChIKey of 5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The InChIKey is OWXCCGBXHIHZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-15-20(17,18)13-10-11(14)4-5-12(13)19-9-8-16-6-2-3-7-16/h4-5,10,15H,2-3,6-9,14H2,1H3.
What are the key properties of 5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 103287799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).