N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide

C18H24N2O4S2 — CID 30170531

IUPACN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C18H24N2O4S2/c1-13-5-7-17(11-15(13)3)25(21,22)19-9-10-20-26(23,24)18-8-6-14(2)16(4)12-18/h5-8,11-12,19-20H,9-10H2,1-4H3
InChIKeyMDGJTNPRCKAYBM-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.18
Rot. Bonds7

About N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide

N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 30170531) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
PubChem CID30170531
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC NameN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C18H24N2O4S2/c1-13-5-7-17(11-15(13)3)25(21,22)19-9-10-20-26(23,24)18-8-6-14(2)16(4)12-18/h5-8,11-12,19-20H,9-10H2,1-4H3
InChIKeyMDGJTNPRCKAYBM-UHFFFAOYSA-N
XLogP2.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride
CID 81357871
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
CID 84512808
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide
CID 71787611
3,4-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101160
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 121074792
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666567
2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79457362
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 110416909

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide (CID 30170531) is N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is MDGJTNPRCKAYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-13-5-7-17(11-15(13)3)25(21,22)19-9-10-20-26(23,24)18-8-6-14(2)16(4)12-18/h5-8,11-12,19-20H,9-10H2,1-4H3.
What are the key properties of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide?
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 30170531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).