3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide

C18H14Cl2N2O5S — CID 4792591

IUPAC3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H14Cl2N2O5S/c19-17-8-7-16(10-18(17)20)28(25,26)21(12-15-2-1-9-27-15)11-13-3-5-14(6-4-13)22(23)24/h1-10H,11-12H2
InChIKeyZEUYXJMWBOPGOY-UHFFFAOYSA-N
MW441.29 g/mol
LogP4.89
Rot. Bonds7

About 3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide

3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide (PubChem CID 4792591) has the molecular formula C18H14Cl2N2O5S and a molecular weight of 441.29 g/mol. Its IUPAC name is 3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide
PubChem CID4792591
Molecular FormulaC18H14Cl2N2O5S
Molecular Weight441.29 g/mol
Exact Mass440.00
IUPAC Name3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H14Cl2N2O5S/c19-17-8-7-16(10-18(17)20)28(25,26)21(12-15-2-1-9-27-15)11-13-3-5-14(6-4-13)22(23)24/h1-10H,11-12H2
InChIKeyZEUYXJMWBOPGOY-UHFFFAOYSA-N
XLogP4.89
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide 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

N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084763
N-(furan-2-ylmethyl)-N-[(3-nitrophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260179
N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 4793403
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
2-[furan-2-ylmethyl-(3-nitrophenyl)sulfonylamino]acetic acid
CID 50894682
4-chloro-N-(furan-2-ylmethyl)-3-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42664623
2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 25498286
2-[(4-chloro-3-nitrophenyl)sulfonyl-propylamino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42773545
N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide
CID 2695360
2-chloro-N-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 30232442
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
4-[bis(furan-2-ylmethyl)amino]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 55511028

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide (CID 4792591) is 3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide is O=[N+]([O-])c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide?
The InChIKey is ZEUYXJMWBOPGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O5S/c19-17-8-7-16(10-18(17)20)28(25,26)21(12-15-2-1-9-27-15)11-13-3-5-14(6-4-13)22(23)24/h1-10H,11-12H2.
What are the key properties of 3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide?
3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide has a molecular weight of 441.29 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 4792591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).