4-pyrrolidin-1-ylsulfonylaniline

C10H14N2O2S — CID 535805

IUPAC4-pyrrolidin-1-ylsulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C10H14N2O2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8,11H2
InChIKeyJTIWXDLCUZTDFM-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.05
Rot. Bonds2

About 4-pyrrolidin-1-ylsulfonylaniline

4-pyrrolidin-1-ylsulfonylaniline (PubChem CID 535805) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonylaniline
PubChem CID535805
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-pyrrolidin-1-ylsulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C10H14N2O2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8,11H2
InChIKeyJTIWXDLCUZTDFM-UHFFFAOYSA-N
XLogP1.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sulfanilamide
CID 5333
Sulfacarbamide
CID 11033
Sulfaguanidine
CID 5324
Sulfathiourea
CID 3000579
Sulfabenz
CID 31390
4-(Methylamino)benzene-1-sulfonamide
CID 14612854
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide
CID 116814
4-amino-N-methylbenzene-1-sulfonamide
CID 74368
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
4-Amino-3-fluorobenzene-1-sulfonamide
CID 4687472
N-(4-(pyrrolidine-1-sulfonyl)phenyl)prop-2-enamide
CID 43405474

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonylaniline?
The IUPAC name of 4-pyrrolidin-1-ylsulfonylaniline (CID 535805) is 4-pyrrolidin-1-ylsulfonylaniline.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonylaniline?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonylaniline is Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonylaniline?
The InChIKey is JTIWXDLCUZTDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8,11H2.
What are the key properties of 4-pyrrolidin-1-ylsulfonylaniline?
4-pyrrolidin-1-ylsulfonylaniline has a molecular weight of 226.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonylaniline is sourced from PubChem (CID 535805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).