N-diazo-3-nitro-4-(propylamino)benzenesulfonamide

C9H11N5O4S — CID 121297863

IUPACN-diazo-3-nitro-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N=[N+]=[N-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O4S/c1-2-5-11-8-4-3-7(6-9(8)14(15)16)19(17,18)13-12-10/h3-4,6,11H,2,5H2,1H3
InChIKeyGDZWKNMHVWQETN-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.42
Rot. Bonds6

About N-diazo-3-nitro-4-(propylamino)benzenesulfonamide

N-diazo-3-nitro-4-(propylamino)benzenesulfonamide (PubChem CID 121297863) has the molecular formula C9H11N5O4S and a molecular weight of 285.28 g/mol. Its IUPAC name is N-diazo-3-nitro-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-diazo-3-nitro-4-(propylamino)benzenesulfonamide
PubChem CID121297863
Molecular FormulaC9H11N5O4S
Molecular Weight285.28 g/mol
Exact Mass285.05
IUPAC NameN-diazo-3-nitro-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N=[N+]=[N-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O4S/c1-2-5-11-8-4-3-7(6-9(8)14(15)16)19(17,18)13-12-10/h3-4,6,11H,2,5H2,1H3
InChIKeyGDZWKNMHVWQETN-UHFFFAOYSA-N
XLogP2.42
TPSA138.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-4-[3-nitro-4-(pentylamino)phenyl]sulfonyl-N-pentylaniline
CID 635447
N-(2-methoxyethyl)-3-nitro-4-(propylamino)benzenesulfonamide
CID 62148284
sodium 4-(dodecylamino)-3-nitrobenzenesulfonate
CID 45049270
3-nitro-4-(nonadecylamino)benzenesulfonic acid
CID 86063844
3-nitro-4-(octadecylamino)benzenesulfonyl chloride
CID 4155410
4-[[methyl(propyl)amino]methyl]-2-nitro-N-propylaniline
CID 62183615
2-(4-methylsulfonyl-2-nitroanilino)ethanesulfonamide
CID 43552379
1-N-butyl-2,5-dinitro-4-N-propylbenzene-1,4-diamine
CID 86695970
N-(2-ethylsulfinylethyl)-4-methylsulfonyl-2-nitroaniline
CID 115626931
5-fluoro-2-nitro-N-propylaniline
CID 50987928
1-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-propylguanidine
CID 111036590
4-(2-aminoethylamino)-3-nitrobenzenesulfonamide;hydrochloride
CID 155669962

Frequently Asked Questions

What is the IUPAC name of N-diazo-3-nitro-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-diazo-3-nitro-4-(propylamino)benzenesulfonamide (CID 121297863) is N-diazo-3-nitro-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-diazo-3-nitro-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-diazo-3-nitro-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)N=[N+]=[N-])cc1[N+](=O)[O-].
What is the InChIKey of N-diazo-3-nitro-4-(propylamino)benzenesulfonamide?
The InChIKey is GDZWKNMHVWQETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S/c1-2-5-11-8-4-3-7(6-9(8)14(15)16)19(17,18)13-12-10/h3-4,6,11H,2,5H2,1H3.
What are the key properties of N-diazo-3-nitro-4-(propylamino)benzenesulfonamide?
N-diazo-3-nitro-4-(propylamino)benzenesulfonamide has a molecular weight of 285.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-3-nitro-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 121297863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).