4-nitro-2-(pentylamino)benzenesulfonamide

C11H17N3O4S — CID 133462528

IUPAC4-nitro-2-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O
InChIInChI=1S/C11H17N3O4S/c1-2-3-4-7-13-10-8-9(14(15)16)5-6-11(10)19(12,17)18/h5-6,8,13H,2-4,7H2,1H3,(H2,12,17,18)
InChIKeyIZYOYENHIVSRNO-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.84
Rot. Bonds7

About 4-nitro-2-(pentylamino)benzenesulfonamide

4-nitro-2-(pentylamino)benzenesulfonamide (PubChem CID 133462528) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-nitro-2-(pentylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-2-(pentylamino)benzenesulfonamide
PubChem CID133462528
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name4-nitro-2-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O
InChIInChI=1S/C11H17N3O4S/c1-2-3-4-7-13-10-8-9(14(15)16)5-6-11(10)19(12,17)18/h5-6,8,13H,2-4,7H2,1H3,(H2,12,17,18)
InChIKeyIZYOYENHIVSRNO-UHFFFAOYSA-N
XLogP1.84
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-nitro-2-(pentylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-heptyl-2-methyl-5-nitroaniline
CID 43718518
2-methyl-5-nitro-N-octylaniline
CID 43718449
2-fluoro-5-nitro-N-pentylaniline
CID 43718990
2-(methylamino)-4-nitrobenzenesulfonamide
CID 62144576
4-nitro-N-propyl-2-(propylamino)benzenesulfonamide
CID 62148948
2-iodo-4-nitro-N-octylaniline
CID 115568882
N-butyl-2-ethylsulfonyl-4-nitroaniline
CID 165086267
1-N-butyl-4-nitrobenzene-1,2-diamine
CID 15327518
2-(butylamino)-N-methyl-5-nitrobenzenesulfonamide
CID 155168019
5-nitro-2-(pentylamino)benzoic acid
CID 29269659
2-(ethylamino)-4-nitrobenzenesulfonic acid
CID 14833051
N-hexyl-2-methyl-4-nitrobenzenesulfonamide
CID 37477665

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(pentylamino)benzenesulfonamide?
The IUPAC name of 4-nitro-2-(pentylamino)benzenesulfonamide (CID 133462528) is 4-nitro-2-(pentylamino)benzenesulfonamide.
What is the SMILES notation for 4-nitro-2-(pentylamino)benzenesulfonamide?
The canonical SMILES for 4-nitro-2-(pentylamino)benzenesulfonamide is CCCCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O.
What is the InChIKey of 4-nitro-2-(pentylamino)benzenesulfonamide?
The InChIKey is IZYOYENHIVSRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-3-4-7-13-10-8-9(14(15)16)5-6-11(10)19(12,17)18/h5-6,8,13H,2-4,7H2,1H3,(H2,12,17,18).
What are the key properties of 4-nitro-2-(pentylamino)benzenesulfonamide?
4-nitro-2-(pentylamino)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(pentylamino)benzenesulfonamide is sourced from PubChem (CID 133462528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).