2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide

C15H17N3O6S2 — CID 17319807

IUPAC2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O6S2/c1-2-11-16-25(21,22)13-9-7-12(8-10-13)17-26(23,24)15-6-4-3-5-14(15)18(19)20/h3-10,16-17H,2,11H2,1H3
InChIKeyWRPFISYGCJMQQR-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.08
Rot. Bonds8

About 2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide

2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 17319807) has the molecular formula C15H17N3O6S2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID17319807
Molecular FormulaC15H17N3O6S2
Molecular Weight399.45 g/mol
Exact Mass399.06
IUPAC Name2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O6S2/c1-2-11-16-25(21,22)13-9-7-12(8-10-13)17-26(23,24)15-6-4-3-5-14(15)18(19)20/h3-10,16-17H,2,11H2,1H3
InChIKeyWRPFISYGCJMQQR-UHFFFAOYSA-N
XLogP2.08
TPSA135.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.08
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-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 2176221
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 17311463
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
N-butyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 4294887
4-(methylamino)-2-nitro-N-propylbenzenesulfonamide
CID 62148432
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 4146785
N-(2-methylpentyl)-2-nitrobenzenesulfonamide
CID 11380631
2-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 997375

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide (CID 17319807) is 2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide is CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is WRPFISYGCJMQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S2/c1-2-11-16-25(21,22)13-9-7-12(8-10-13)17-26(23,24)15-6-4-3-5-14(15)18(19)20/h3-10,16-17H,2,11H2,1H3.
What are the key properties of 2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide?
2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 399.45 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 17319807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).