N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide

C11H19N5O4S — CID 60989360

IUPACN-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O4S/c1-15(2)7-3-6-13-21(19,20)11-8-9(14-12)4-5-10(11)16(17)18/h4-5,8,13-14H,3,6-7,12H2,1-2H3
InChIKeyYMFLBDBRYITOLL-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.11
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide

N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide (PubChem CID 60989360) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
PubChem CID60989360
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC NameN-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O4S/c1-15(2)7-3-6-13-21(19,20)11-8-9(14-12)4-5-10(11)16(17)18/h4-5,8,13-14H,3,6-7,12H2,1-2H3
InChIKeyYMFLBDBRYITOLL-UHFFFAOYSA-N
XLogP0.11
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
2-amino-N-[3-(dimethylamino)propyl]-5-nitrobenzenesulfonamide
CID 23322298
4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 63004068
2-amino-N-[3-(dimethylamino)propyl]-5-nitrobenzenesulfonamide;hydrochloride
CID 23322297
N-[3-(dimethylamino)propyl]-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82846438
5-(methylamino)-2-nitro-N-pentylbenzenesulfonamide
CID 62162640
2-amino-N-[4-(dimethylamino)butyl]-5-nitrobenzenesulfonamide
CID 62157894
5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide
CID 79379501
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 63244446
N-(3-methoxy-4-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 63671596

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide (CID 60989360) is N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide is CN(C)CCCNS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide?
The InChIKey is YMFLBDBRYITOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-15(2)7-3-6-13-21(19,20)11-8-9(14-12)4-5-10(11)16(17)18/h4-5,8,13-14H,3,6-7,12H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide?
N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 60989360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).