N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide

C14H19IN2O3S — CID 112844619

IUPACN-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)N1CCCC1)Nc1ccccc1I
InChIInChI=1S/C14H19IN2O3S/c15-12-6-1-2-7-13(12)16-14(18)8-5-11-21(19,20)17-9-3-4-10-17/h1-2,6-7H,3-5,8-11H2,(H,16,18)
InChIKeyWOBHLDHAEHCCRY-UHFFFAOYSA-N
MW422.29 g/mol
LogP2.44
Rot. Bonds6

About N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide

N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide (PubChem CID 112844619) has the molecular formula C14H19IN2O3S and a molecular weight of 422.29 g/mol. Its IUPAC name is N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
PubChem CID112844619
Molecular FormulaC14H19IN2O3S
Molecular Weight422.29 g/mol
Exact Mass422.02
IUPAC NameN-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)N1CCCC1)Nc1ccccc1I
InChIInChI=1S/C14H19IN2O3S/c15-12-6-1-2-7-13(12)16-14(18)8-5-11-21(19,20)17-9-3-4-10-17/h1-2,6-7H,3-5,8-11H2,(H,16,18)
InChIKeyWOBHLDHAEHCCRY-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112845023
N-(2,3-dichlorophenyl)-3-piperidin-1-ylsulfonylpropanamide
CID 110342707
N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 120568084
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299836
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide
CID 17034974
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843813
N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843902
N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299831
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844900
5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide
CID 110299847
N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299866

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The IUPAC name of N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide (CID 112844619) is N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide.
What is the SMILES notation for N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The canonical SMILES for N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide is O=C(CCCS(=O)(=O)N1CCCC1)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The InChIKey is WOBHLDHAEHCCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O3S/c15-12-6-1-2-7-13(12)16-14(18)8-5-11-21(19,20)17-9-3-4-10-17/h1-2,6-7H,3-5,8-11H2,(H,16,18).
What are the key properties of N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide?
N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide has a molecular weight of 422.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide is sourced from PubChem (CID 112844619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).