N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide

C16H20N2O4S2 — CID 2186087

IUPACN-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-14-8-10-16(11-9-14)24(21,22)18-13-5-12-17-23(19,20)15-6-3-2-4-7-15/h2-4,6-11,17-18H,5,12-13H2,1H3
InChIKeyCALMJXDJORALFS-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.64
Rot. Bonds8

About N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide

N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide (PubChem CID 2186087) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide
PubChem CID2186087
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-14-8-10-16(11-9-14)24(21,22)18-13-5-12-17-23(19,20)15-6-3-2-4-7-15/h2-4,6-11,17-18H,5,12-13H2,1H3
InChIKeyCALMJXDJORALFS-UHFFFAOYSA-N
XLogP1.64
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide (CID 2186087) is N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide?
The InChIKey is CALMJXDJORALFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-14-8-10-16(11-9-14)24(21,22)18-13-5-12-17-23(19,20)15-6-3-2-4-7-15/h2-4,6-11,17-18H,5,12-13H2,1H3.
What are the key properties of N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide?
N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2186087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).