2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide

C13H20N2O3S — CID 104972561

IUPAC2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C13H20N2O3S/c1-18-12-6-2-3-7-13(12)19(16,17)15-10-8-11-5-4-9-14-11/h2-3,6-7,11,14-15H,4-5,8-10H2,1H3/t11-/m1/s1
InChIKeyNVVJPACNFAOLBA-LLVKDONJSA-N
MW284.38 g/mol
LogP1.12
Rot. Bonds6

About 2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide

2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide (PubChem CID 104972561) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
PubChem CID104972561
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C13H20N2O3S/c1-18-12-6-2-3-7-13(12)19(16,17)15-10-8-11-5-4-9-14-11/h2-3,6-7,11,14-15H,4-5,8-10H2,1H3/t11-/m1/s1
InChIKeyNVVJPACNFAOLBA-LLVKDONJSA-N
XLogP1.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 120876426
5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723547
2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972390
2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide
CID 62349027
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 104972614
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084395
2-fluoro-5-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794247
3-fluoro-2-nitro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794131
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-3-sulfonamide
CID 104972646
2,5-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972576
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723543
N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64910766

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide (CID 104972561) is 2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The InChIKey is NVVJPACNFAOLBA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-12-6-2-3-7-13(12)19(16,17)15-10-8-11-5-4-9-14-11/h2-3,6-7,11,14-15H,4-5,8-10H2,1H3/t11-/m1/s1.
What are the key properties of 2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 104972561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).