N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide

C12H18N2O3S — CID 168515675

IUPACN-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)c(N2CCCC2)c1
InChIInChI=1S/C12H18N2O3S/c1-17-10-5-6-11(13-18(2,15)16)12(9-10)14-7-3-4-8-14/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyHZLMXCJWTZVOJJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.67
Rot. Bonds4

About N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide

N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide (PubChem CID 168515675) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide
PubChem CID168515675
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)c(N2CCCC2)c1
InChIInChI=1S/C12H18N2O3S/c1-17-10-5-6-11(13-18(2,15)16)12(9-10)14-7-3-4-8-14/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyHZLMXCJWTZVOJJ-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-(2-formyl-4-methoxyphenyl)methanesulfonamide
CID 131493986
4-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3859030
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide
CID 28783253
N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400433
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400494
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
N-(2-hydroxy-5-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 103760192
N-(2-amino-5-methoxyphenyl)piperidine-1-sulfonamide
CID 63258793
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide
CID 20504403

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide?
The IUPAC name of N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide (CID 168515675) is N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide is COc1ccc(NS(C)(=O)=O)c(N2CCCC2)c1.
What is the InChIKey of N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide?
The InChIKey is HZLMXCJWTZVOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-17-10-5-6-11(13-18(2,15)16)12(9-10)14-7-3-4-8-14/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide?
N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 168515675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).