N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide

C12H18N2O3S — CID 55206379

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1cccc(CO)c1)N1CCCC1
InChIInChI=1S/C12H18N2O3S/c15-10-12-5-3-4-11(8-12)9-13-18(16,17)14-6-1-2-7-14/h3-5,8,13,15H,1-2,6-7,9-10H2
InChIKeyMUYJWCQZAYVQKP-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.61
Rot. Bonds5

About N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide

N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 55206379) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
PubChem CID55206379
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1cccc(CO)c1)N1CCCC1
InChIInChI=1S/C12H18N2O3S/c15-10-12-5-3-4-11(8-12)9-13-18(16,17)14-6-1-2-7-14/h3-5,8,13,15H,1-2,6-7,9-10H2
InChIKeyMUYJWCQZAYVQKP-UHFFFAOYSA-N
XLogP0.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(chloromethyl)phenyl]methyl]azepane-1-sulfonamide
CID 65032852
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072
N-[(3-aminophenyl)methyl]azepane-1-sulfonamide
CID 43593573
3-[(pyrrolidin-1-ylsulfonylamino)methyl]benzenecarbothioamide
CID 55062659
N-benzylpiperidine-1-sulfonamide
CID 2989594
N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide
CID 55062176
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol
CID 115969766
N-[(4-bromophenyl)methyl]azepane-1-sulfonamide
CID 55223918
N-[(4-aminophenyl)methyl]azepane-1-sulfonamide
CID 43604589
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride
CID 120724137
1-(azepan-1-yl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanone
CID 107230604

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide (CID 55206379) is N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide is O=S(=O)(NCc1cccc(CO)c1)N1CCCC1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is MUYJWCQZAYVQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-10-12-5-3-4-11(8-12)9-13-18(16,17)14-6-1-2-7-14/h3-5,8,13,15H,1-2,6-7,9-10H2.
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide?
N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 55206379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).