N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide

C11H15ClN2O2S — CID 127505072

IUPACN-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C11H15ClN2O2S/c12-11-5-3-4-10(8-11)9-13-17(15,16)14-6-1-2-7-14/h3-5,8,13H,1-2,6-7,9H2
InChIKeyOZOLSXMEXIAZHR-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.77
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 127505072) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
PubChem CID127505072
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC NameN-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C11H15ClN2O2S/c12-11-5-3-4-10(8-11)9-13-17(15,16)14-6-1-2-7-14/h3-5,8,13H,1-2,6-7,9H2
InChIKeyOZOLSXMEXIAZHR-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(chloromethyl)phenyl]methyl]azepane-1-sulfonamide
CID 65032852
N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
CID 55206379
N-[(3-aminophenyl)methyl]azepane-1-sulfonamide
CID 43593573
N-benzylpiperidine-1-sulfonamide
CID 2989594
N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide
CID 55062176
N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide
CID 166249626
3-[(pyrrolidin-1-ylsulfonylamino)methyl]benzenecarbothioamide
CID 55062659
N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide
CID 86867163
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride
CID 120724137
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
N-[(4-bromophenyl)methyl]azepane-1-sulfonamide
CID 55223918
N-[(4-aminophenyl)methyl]azepane-1-sulfonamide
CID 43604589

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide (CID 127505072) is N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide is O=S(=O)(NCc1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is OZOLSXMEXIAZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-11-5-3-4-10(8-11)9-13-17(15,16)14-6-1-2-7-14/h3-5,8,13H,1-2,6-7,9H2.
What are the key properties of N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide?
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 274.77 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 127505072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).