N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide

C17H27NO3S — CID 91905690

IUPACN-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCC)CC2CCOC2)cc1
InChIInChI=1S/C17H27NO3S/c1-3-5-15-6-8-17(9-7-15)22(19,20)18(11-4-2)13-16-10-12-21-14-16/h6-9,16H,3-5,10-14H2,1-2H3
InChIKeyDOGQGMGLCYOGDE-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.08
Rot. Bonds8

About N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide

N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide (PubChem CID 91905690) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide
PubChem CID91905690
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC NameN-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCC)CC2CCOC2)cc1
InChIInChI=1S/C17H27NO3S/c1-3-5-15-6-8-17(9-7-15)22(19,20)18(11-4-2)13-16-10-12-21-14-16/h6-9,16H,3-5,10-14H2,1-2H3
InChIKeyDOGQGMGLCYOGDE-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide (CID 91905690) is N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N(CCC)CC2CCOC2)cc1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide?
The InChIKey is DOGQGMGLCYOGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-3-5-15-6-8-17(9-7-15)22(19,20)18(11-4-2)13-16-10-12-21-14-16/h6-9,16H,3-5,10-14H2,1-2H3.
What are the key properties of N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide?
N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide has a molecular weight of 325.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-N,4-dipropylbenzenesulfonamide is sourced from PubChem (CID 91905690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).