4-chloro-3-pyrrolidin-1-ylsulfonylaniline

C10H13ClN2O2S — CID 3865079

IUPAC4-chloro-3-pyrrolidin-1-ylsulfonylaniline
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C10H13ClN2O2S/c11-9-4-3-8(12)7-10(9)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKeyWOKJMOZJZLDIRK-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.71
Rot. Bonds2

About 4-chloro-3-pyrrolidin-1-ylsulfonylaniline

4-chloro-3-pyrrolidin-1-ylsulfonylaniline (PubChem CID 3865079) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-chloro-3-pyrrolidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name4-chloro-3-pyrrolidin-1-ylsulfonylaniline
PubChem CID3865079
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name4-chloro-3-pyrrolidin-1-ylsulfonylaniline
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C10H13ClN2O2S/c11-9-4-3-8(12)7-10(9)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKeyWOKJMOZJZLDIRK-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-pyrrolidin-1-ylsulfonylaniline?
The IUPAC name of 4-chloro-3-pyrrolidin-1-ylsulfonylaniline (CID 3865079) is 4-chloro-3-pyrrolidin-1-ylsulfonylaniline.
What is the SMILES notation for 4-chloro-3-pyrrolidin-1-ylsulfonylaniline?
The canonical SMILES for 4-chloro-3-pyrrolidin-1-ylsulfonylaniline is Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-3-pyrrolidin-1-ylsulfonylaniline?
The InChIKey is WOKJMOZJZLDIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-9-4-3-8(12)7-10(9)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2.
What are the key properties of 4-chloro-3-pyrrolidin-1-ylsulfonylaniline?
4-chloro-3-pyrrolidin-1-ylsulfonylaniline has a molecular weight of 260.75 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-pyrrolidin-1-ylsulfonylaniline is sourced from PubChem (CID 3865079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).