1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide

C14H21ClN2O2S — CID 10543484

IUPAC1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCCN1CCCC1
InChIInChI=1S/C14H21ClN2O2S/c15-14-6-4-13(5-7-14)12-20(18,19)16-8-3-11-17-9-1-2-10-17/h4-7,16H,1-3,8-12H2
InChIKeyVUPZSYSARNHDRI-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.25
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide

1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide (PubChem CID 10543484) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
PubChem CID10543484
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCCN1CCCC1
InChIInChI=1S/C14H21ClN2O2S/c15-14-6-4-13(5-7-14)12-20(18,19)16-8-3-11-17-9-1-2-10-17/h4-7,16H,1-3,8-12H2
InChIKeyVUPZSYSARNHDRI-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Chlorobenzyl)sulfonyl]pyrrolidine
CID 2229593
N-(4-Chlorobenzyl)-N'-(3-pyrrolidin-1-yl-propyl)-sulfamide
CID 10520543
1-[(2-Chlorobenzyl)sulfonyl]pyrrolidine
CID 2987144
N-[(3R)-1-cyanopyrrolidin-3-yl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 44526217
1-(4-Chlorophenyl)-N-[2-(Diethylamino)ethyl]methanesulfonamide
CID 71677773
1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
CID 72704500
1-[(4-Chlorobenzyl)sulfonyl]azepane
CID 724076
US11414402, Example 34
CID 137352251
US11414402, Example 31
CID 137352257
US11414402, Example 30
CID 137352258
US11414402, Example 32
CID 137352602
US11414402, Example 36
CID 137352608

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide (CID 10543484) is 1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCCCN1CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The InChIKey is VUPZSYSARNHDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c15-14-6-4-13(5-7-14)12-20(18,19)16-8-3-11-17-9-1-2-10-17/h4-7,16H,1-3,8-12H2.
What are the key properties of 1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 10543484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).