4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide

C15H25ClN2O2S — CID 3259998

IUPAC4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C15H25ClN2O2S/c1-5-18(6-2)9-7-8-17-21(19,20)15-11-12(3)14(16)10-13(15)4/h10-11,17H,5-9H2,1-4H3
InChIKeyQMPRZTOISHUQTC-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.97
Rot. Bonds8

About 4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide

4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 3259998) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide
PubChem CID3259998
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C15H25ClN2O2S/c1-5-18(6-2)9-7-8-17-21(19,20)15-11-12(3)14(16)10-13(15)4/h10-11,17H,5-9H2,1-4H3
InChIKeyQMPRZTOISHUQTC-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide (CID 3259998) is 4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide is CCN(CC)CCCNS(=O)(=O)c1cc(C)c(Cl)cc1C.
What is the InChIKey of 4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is QMPRZTOISHUQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2S/c1-5-18(6-2)9-7-8-17-21(19,20)15-11-12(3)14(16)10-13(15)4/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide?
4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 332.90 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(diethylamino)propyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 3259998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).