N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide

C17H27NO3S — CID 91905710

IUPACN-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO3S/c1-4-10-18(12-15-9-11-21-13-15)22(19,20)17-7-5-16(6-8-17)14(2)3/h5-8,14-15H,4,9-13H2,1-3H3
InChIKeyMPWMSEYDXWZUFJ-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.25
Rot. Bonds7

About N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide

N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide (PubChem CID 91905710) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
PubChem CID91905710
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC NameN-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO3S/c1-4-10-18(12-15-9-11-21-13-15)22(19,20)17-7-5-16(6-8-17)14(2)3/h5-8,14-15H,4,9-13H2,1-3H3
InChIKeyMPWMSEYDXWZUFJ-UHFFFAOYSA-N
XLogP3.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.25
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)-4-propan-2-yl-N-propylbenzenesulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide (CID 91905710) is N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide?
The InChIKey is MPWMSEYDXWZUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-4-10-18(12-15-9-11-21-13-15)22(19,20)17-7-5-16(6-8-17)14(2)3/h5-8,14-15H,4,9-13H2,1-3H3.
What are the key properties of N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide?
N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide has a molecular weight of 325.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 91905710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).