N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide

C14H20N2O4S — CID 115966226

IUPACN-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCC(O)C1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C14H20N2O4S/c1-10(17)12-7-8-16(9-12)14(18)11-3-5-13(6-4-11)15-21(2,19)20/h3-6,10,12,15,17H,7-9H2,1-2H3
InChIKeyJDAOALSBHKLZEB-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.90
Rot. Bonds4

About N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide

N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 115966226) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID115966226
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCC(O)C1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C14H20N2O4S/c1-10(17)12-7-8-16(9-12)14(18)11-3-5-13(6-4-11)15-21(2,19)20/h3-6,10,12,15,17H,7-9H2,1-2H3
InChIKeyJDAOALSBHKLZEB-UHFFFAOYSA-N
XLogP0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 60956881
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 110022880
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023199
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564764
N-[4-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 32641762
N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide
CID 19801797
N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
CID 7029961
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112628648

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide (CID 115966226) is N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide is CC(O)C1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C1.
What is the InChIKey of N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is JDAOALSBHKLZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(17)12-7-8-16(9-12)14(18)11-3-5-13(6-4-11)15-21(2,19)20/h3-6,10,12,15,17H,7-9H2,1-2H3.
What are the key properties of N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide?
N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 115966226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).