N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide

C14H17ClN2O3S — CID 75442646

IUPACN-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide
SMILESN#CCCCS(=O)(=O)NC1CCOC1c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3S/c15-12-5-3-11(4-6-12)14-13(7-9-20-14)17-21(18,19)10-2-1-8-16/h3-6,13-14,17H,1-2,7,9-10H2
InChIKeyRRVUABHBMFWLRC-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.39
Rot. Bonds6

About N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide

N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide (PubChem CID 75442646) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide
PubChem CID75442646
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC NameN-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide
SMILESN#CCCCS(=O)(=O)NC1CCOC1c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3S/c15-12-5-3-11(4-6-12)14-13(7-9-20-14)17-21(18,19)10-2-1-8-16/h3-6,13-14,17H,1-2,7,9-10H2
InChIKeyRRVUABHBMFWLRC-UHFFFAOYSA-N
XLogP2.39
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide (CID 75442646) is N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide is N#CCCCS(=O)(=O)NC1CCOC1c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide?
The InChIKey is RRVUABHBMFWLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-12-5-3-11(4-6-12)14-13(7-9-20-14)17-21(18,19)10-2-1-8-16/h3-6,13-14,17H,1-2,7,9-10H2.
What are the key properties of N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide?
N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide has a molecular weight of 328.82 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide is sourced from PubChem (CID 75442646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).