3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide

C15H24N2O4S — CID 93157622

IUPAC3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](C)N2CCCC2)cc1OC
InChIInChI=1S/C15H24N2O4S/c1-12(17-8-4-5-9-17)11-16-22(18,19)13-6-7-14(20-2)15(10-13)21-3/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyVBBAIVSEYLNDQG-LBPRGKRZSA-N
MW328.43 g/mol
LogP1.47
Rot. Bonds7

About 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide

3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide (PubChem CID 93157622) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
PubChem CID93157622
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](C)N2CCCC2)cc1OC
InChIInChI=1S/C15H24N2O4S/c1-12(17-8-4-5-9-17)11-16-22(18,19)13-6-7-14(20-2)15(10-13)21-3/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyVBBAIVSEYLNDQG-LBPRGKRZSA-N
XLogP1.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-methoxy-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112727228
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 112502382
3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402917
3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42960746
3-bromo-4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106545497
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868
3,4-dimethoxy-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 40828884
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420
3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 52697516
3,4-diethoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 71685286
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide (CID 93157622) is 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H](C)N2CCCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide?
The InChIKey is VBBAIVSEYLNDQG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12(17-8-4-5-9-17)11-16-22(18,19)13-6-7-14(20-2)15(10-13)21-3/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3/t12-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide?
3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide is sourced from PubChem (CID 93157622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).