2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide

C17H28Cl2N2O2S — CID 4790701

IUPAC2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl
InChIInChI=1S/C17H28Cl2N2O2S/c1-6-21(7-2)10-8-9-13(4)20-24(22,23)17-14(5)15(18)11-12(3)16(17)19/h11,13,20H,6-10H2,1-5H3
InChIKeyYVPBQAZGRHXJOJ-UHFFFAOYSA-N
MW395.40 g/mol
LogP4.40
Rot. Bonds9

About 2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide

2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide (PubChem CID 4790701) has the molecular formula C17H28Cl2N2O2S and a molecular weight of 395.40 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide
PubChem CID4790701
Molecular FormulaC17H28Cl2N2O2S
Molecular Weight395.40 g/mol
Exact Mass394.12
IUPAC Name2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl
InChIInChI=1S/C17H28Cl2N2O2S/c1-6-21(7-2)10-8-9-13(4)20-24(22,23)17-14(5)15(18)11-12(3)16(17)19/h11,13,20H,6-10H2,1-5H3
InChIKeyYVPBQAZGRHXJOJ-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide (CID 4790701) is 2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide is CCN(CC)CCCC(C)NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl.
What is the InChIKey of 2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide?
The InChIKey is YVPBQAZGRHXJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2N2O2S/c1-6-21(7-2)10-8-9-13(4)20-24(22,23)17-14(5)15(18)11-12(3)16(17)19/h11,13,20H,6-10H2,1-5H3.
What are the key properties of 2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide?
2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide has a molecular weight of 395.40 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[5-(diethylamino)pentan-2-yl]-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 4790701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).