5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide

C19H19Cl2N3O4S2 — CID 57430289

IUPAC5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C19H19Cl2N3O4S2/c1-14-3-4-16(29(25,26)15-5-6-17(20)18(21)11-15)12-19(14)30(27,28)23-7-2-9-24-10-8-22-13-24/h3-6,8,10-13,23H,2,7,9H2,1H3
InChIKeyWQFMFMVWAPKUFH-UHFFFAOYSA-N
MW488.42 g/mol
LogP3.70
Rot. Bonds8

About 5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide

5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide (PubChem CID 57430289) has the molecular formula C19H19Cl2N3O4S2 and a molecular weight of 488.42 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
PubChem CID57430289
Molecular FormulaC19H19Cl2N3O4S2
Molecular Weight488.42 g/mol
Exact Mass487.02
IUPAC Name5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C19H19Cl2N3O4S2/c1-14-3-4-16(29(25,26)15-5-6-17(20)18(21)11-15)12-19(14)30(27,28)23-7-2-9-24-10-8-22-13-24/h3-6,8,10-13,23H,2,7,9H2,1H3
InChIKeyWQFMFMVWAPKUFH-UHFFFAOYSA-N
XLogP3.70
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 25180445
5-(2,3-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430299
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 57430295
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
2,3,4-trichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 4914515
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569
2,5-dibromo-N-(3-imidazol-1-ylpropyl)-4-methylbenzenesulfonamide
CID 81427897
3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 37498541

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide (CID 57430289) is 5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)NCCCn1ccnc1.
What is the InChIKey of 5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide?
The InChIKey is WQFMFMVWAPKUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O4S2/c1-14-3-4-16(29(25,26)15-5-6-17(20)18(21)11-15)12-19(14)30(27,28)23-7-2-9-24-10-8-22-13-24/h3-6,8,10-13,23H,2,7,9H2,1H3.
What are the key properties of 5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide?
5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide has a molecular weight of 488.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 57430289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).