4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

C18H15ClN2O5S — CID 2873288

IUPAC4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)ccc1Cl
InChIInChI=1S/C18H15ClN2O5S/c19-15-7-6-12(10-16(15)21(22)23)27(24,25)20-11-5-8-18-14(9-11)13-3-1-2-4-17(13)26-18/h5-10,20H,1-4H2
InChIKeyXICKADQPMHRCBG-UHFFFAOYSA-N
MW406.85 g/mol
LogP4.67
Rot. Bonds4

About 4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (PubChem CID 2873288) has the molecular formula C18H15ClN2O5S and a molecular weight of 406.85 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
PubChem CID2873288
Molecular FormulaC18H15ClN2O5S
Molecular Weight406.85 g/mol
Exact Mass406.04
IUPAC Name4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)ccc1Cl
InChIInChI=1S/C18H15ClN2O5S/c19-15-7-6-12(10-16(15)21(22)23)27(24,25)20-11-5-8-18-14(9-11)13-3-1-2-4-17(13)26-18/h5-10,20H,1-4H2
InChIKeyXICKADQPMHRCBG-UHFFFAOYSA-N
XLogP4.67
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4826401
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
ethyl 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 2867458
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
CID 61051683
2-chloro-N-(4-chloro-6,7,8,9-tetrahydrodibenzofuran-2-yl)-5-nitrobenzenesulfonamide
CID 4990147
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 1184157
N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
CID 19203778
4-chloro-N-[4-(diethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26967231
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (CID 2873288) is 4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)ccc1Cl.
What is the InChIKey of 4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The InChIKey is XICKADQPMHRCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5S/c19-15-7-6-12(10-16(15)21(22)23)27(24,25)20-11-5-8-18-14(9-11)13-3-1-2-4-17(13)26-18/h5-10,20H,1-4H2.
What are the key properties of 4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide has a molecular weight of 406.85 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 2873288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).