N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide

C16H24N2O5S — CID 120875651

IUPACN-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(C2CC2)C2CCNC2)c(OC)c1
InChIInChI=1S/C16H24N2O5S/c1-21-13-8-14(22-2)16(15(9-13)23-3)24(19,20)18(11-4-5-11)12-6-7-17-10-12/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyWLPHLVBXJHFNOF-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.23
Rot. Bonds7

About N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide

N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 120875651) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID120875651
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(C2CC2)C2CCNC2)c(OC)c1
InChIInChI=1S/C16H24N2O5S/c1-21-13-8-14(22-2)16(15(9-13)23-3)24(19,20)18(11-4-5-11)12-6-7-17-10-12/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyWLPHLVBXJHFNOF-UHFFFAOYSA-N
XLogP1.23
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298346
N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine
CID 115118772
2,4,6-trimethoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120876553
3-bromo-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709910
methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate
CID 124880624
N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118959
3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978738
3-bromo-4-methoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297854
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119978714
N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422631

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide (CID 120875651) is N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)N(C2CC2)C2CCNC2)c(OC)c1.
What is the InChIKey of N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is WLPHLVBXJHFNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-21-13-8-14(22-2)16(15(9-13)23-3)24(19,20)18(11-4-5-11)12-6-7-17-10-12/h8-9,11-12,17H,4-7,10H2,1-3H3.
What are the key properties of N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 356.44 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 120875651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).