3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide

C17H14ClN3O5S — CID 9332174

IUPAC3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(Cl)c1
InChIInChI=1S/C17H14ClN3O5S/c18-16-10-13(21(22)23)6-7-17(16)20-12-3-1-5-15(9-12)27(24,25)19-11-14-4-2-8-26-14/h1-10,19-20H,11H2
InChIKeyUJKBIGKXBVWABY-UHFFFAOYSA-N
MW407.84 g/mol
LogP4.06
Rot. Bonds7

About 3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide

3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 9332174) has the molecular formula C17H14ClN3O5S and a molecular weight of 407.84 g/mol. Its IUPAC name is 3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID9332174
Molecular FormulaC17H14ClN3O5S
Molecular Weight407.84 g/mol
Exact Mass407.03
IUPAC Name3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(Cl)c1
InChIInChI=1S/C17H14ClN3O5S/c18-16-10-13(21(22)23)6-7-17(16)20-12-3-1-5-15(9-12)27(24,25)19-11-14-4-2-8-26-14/h1-10,19-20H,11H2
InChIKeyUJKBIGKXBVWABY-UHFFFAOYSA-N
XLogP4.06
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.84
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
CID 55880160
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 55402300
3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 55347552
5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide
CID 46671837
3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497
2-chloro-N-(4-chlorophenyl)-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 25036124
N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 112808765
N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 4779851
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 26590215

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 9332174) is 3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide is O=[N+]([O-])c1ccc(Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is UJKBIGKXBVWABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O5S/c18-16-10-13(21(22)23)6-7-17(16)20-12-3-1-5-15(9-12)27(24,25)19-11-14-4-2-8-26-14/h1-10,19-20H,11H2.
What are the key properties of 3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide?
3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 407.84 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9332174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).