3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C15H24N2O3S — CID 106607691

IUPAC3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(CC2CCCN2)C(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-12(2)17(11-13-6-5-9-16-13)21(18,19)15-8-4-7-14(10-15)20-3/h4,7-8,10,12-13,16H,5-6,9,11H2,1-3H3
InChIKeyREDOJFQGWYCHAH-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.85
Rot. Bonds6

About 3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106607691) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106607691
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(CC2CCCN2)C(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-12(2)17(11-13-6-5-9-16-13)21(18,19)15-8-4-7-14(10-15)20-3/h4,7-8,10,12-13,16H,5-6,9,11H2,1-3H3
InChIKeyREDOJFQGWYCHAH-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607508
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603171
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604112
2,4-dimethoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106606986
2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609970
2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607019
2-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493505
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 69415368
N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 21097393
ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate
CID 81265540

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106607691) is 3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is COc1cccc(S(=O)(=O)N(CC2CCCN2)C(C)C)c1.
What is the InChIKey of 3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is REDOJFQGWYCHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)17(11-13-6-5-9-16-13)21(18,19)15-8-4-7-14(10-15)20-3/h4,7-8,10,12-13,16H,5-6,9,11H2,1-3H3.
What are the key properties of 3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106607691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).