4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide

C15H21ClF3NO3S — CID 52620595

IUPAC4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H21ClF3NO3S/c1-4-11(5-2)20(8-9-23-3)24(21,22)12-6-7-14(16)13(10-12)15(17,18)19/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyQAYUXXQRRVDYPD-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.18
Rot. Bonds8

About 4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 52620595) has the molecular formula C15H21ClF3NO3S and a molecular weight of 387.85 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID52620595
Molecular FormulaC15H21ClF3NO3S
Molecular Weight387.85 g/mol
Exact Mass387.09
IUPAC Name4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H21ClF3NO3S/c1-4-11(5-2)20(8-9-23-3)24(21,22)12-6-7-14(16)13(10-12)15(17,18)19/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyQAYUXXQRRVDYPD-UHFFFAOYSA-N
XLogP4.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide (CID 52620595) is 4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide is CCC(CC)N(CCOC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QAYUXXQRRVDYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3NO3S/c1-4-11(5-2)20(8-9-23-3)24(21,22)12-6-7-14(16)13(10-12)15(17,18)19/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 387.85 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 52620595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).