N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide

C18H14ClN3O6S2 — CID 4647141

IUPACN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C18H14ClN3O6S2/c19-13-3-1-4-15(11-13)21-29(25,26)17-9-7-14(8-10-17)20-30(27,28)18-6-2-5-16(12-18)22(23)24/h1-12,20-21H
InChIKeyDAPNDSYSBWANDN-UHFFFAOYSA-N
MW467.91 g/mol
LogP3.85
Rot. Bonds7

About N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide (PubChem CID 4647141) has the molecular formula C18H14ClN3O6S2 and a molecular weight of 467.91 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
PubChem CID4647141
Molecular FormulaC18H14ClN3O6S2
Molecular Weight467.91 g/mol
Exact Mass467.00
IUPAC NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C18H14ClN3O6S2/c19-13-3-1-4-15(11-13)21-29(25,26)17-9-7-14(8-10-17)20-30(27,28)18-6-2-5-16(12-18)22(23)24/h1-12,20-21H
InChIKeyDAPNDSYSBWANDN-UHFFFAOYSA-N
XLogP3.85
TPSA135.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 53.85
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

N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 22202678
N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
CID 19203778
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 27605649
N-(4-bromophenyl)-3-nitrobenzenesulfonamide
CID 598510
N-(4-bromo-3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2962820
N-(4-methylphenyl)-3-nitrobenzenesulfonamide;hydrate
CID 90481492
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
3-[(3-nitrophenyl)sulfonylamino]benzoate
CID 7452082
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
3-nitro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202762
[3-[(3-nitrophenyl)sulfonylamino]phenyl]boronic acid
CID 52940009

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide (CID 4647141) is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1.
What is the InChIKey of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide?
The InChIKey is DAPNDSYSBWANDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O6S2/c19-13-3-1-4-15(11-13)21-29(25,26)17-9-7-14(8-10-17)20-30(27,28)18-6-2-5-16(12-18)22(23)24/h1-12,20-21H.
What are the key properties of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide?
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide has a molecular weight of 467.91 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 4647141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).