2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide

C18H11ClF5N3O4S — CID 55350553

IUPAC2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
SMILESO=C(NNc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C18H11ClF5N3O4S/c19-10-4-3-8(6-11(10)32(29,30)25-7-9-2-1-5-31-9)18(28)27-26-17-15(23)13(21)12(20)14(22)16(17)24/h1-6,25-26H,7H2,(H,27,28)
InChIKeyUVUKZJWKAWFVTR-UHFFFAOYSA-N
MW495.81 g/mol
LogP3.86
Rot. Bonds7

About 2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide

2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide (PubChem CID 55350553) has the molecular formula C18H11ClF5N3O4S and a molecular weight of 495.81 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
PubChem CID55350553
Molecular FormulaC18H11ClF5N3O4S
Molecular Weight495.81 g/mol
Exact Mass495.01
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
SMILESO=C(NNc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C18H11ClF5N3O4S/c19-10-4-3-8(6-11(10)32(29,30)25-7-9-2-1-5-31-9)18(28)27-26-17-15(23)13(21)12(20)14(22)16(17)24/h1-6,25-26H,7H2,(H,27,28)
InChIKeyUVUKZJWKAWFVTR-UHFFFAOYSA-N
XLogP3.86
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.81
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 36866380
4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36866343
N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 24672563
4-chloro-N-(4-ethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36705186
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2450838
4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide
CID 4882410
4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36717175
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 38853493
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
4-fluoro-3-(furan-2-ylmethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 3435304
N-(3-chloro-2-fluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9146107

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide (CID 55350553) is 2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide is O=C(NNc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide?
The InChIKey is UVUKZJWKAWFVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF5N3O4S/c19-10-4-3-8(6-11(10)32(29,30)25-7-9-2-1-5-31-9)18(28)27-26-17-15(23)13(21)12(20)14(22)16(17)24/h1-6,25-26H,7H2,(H,27,28).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide?
2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide has a molecular weight of 495.81 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 55350553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).