N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide

C15H21NO4S — CID 60873458

IUPACN-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC(C)C2CCCO2)c1
InChIInChI=1S/C15H21NO4S/c1-3-14(17)12-6-4-7-13(10-12)21(18,19)16-11(2)15-8-5-9-20-15/h4,6-7,10-11,15-16H,3,5,8-9H2,1-2H3
InChIKeyYQWZWPRWHIMNKG-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.13
Rot. Bonds6

About N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide

N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide (PubChem CID 60873458) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
PubChem CID60873458
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC(C)C2CCCO2)c1
InChIInChI=1S/C15H21NO4S/c1-3-14(17)12-6-4-7-13(10-12)21(18,19)16-11(2)15-8-5-9-20-15/h4,6-7,10-11,15-16H,3,5,8-9H2,1-2H3
InChIKeyYQWZWPRWHIMNKG-UHFFFAOYSA-N
XLogP2.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
CID 43533925
N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43421894
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42955258
N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873627
3-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 43533927
4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
N-hexan-2-yl-3-propanoylbenzenesulfonamide
CID 62200821
2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 43612644
3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854212

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide (CID 60873458) is N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NC(C)C2CCCO2)c1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide?
The InChIKey is YQWZWPRWHIMNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-14(17)12-6-4-7-13(10-12)21(18,19)16-11(2)15-8-5-9-20-15/h4,6-7,10-11,15-16H,3,5,8-9H2,1-2H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide?
N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 60873458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).