N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide

C11H19N5O4S — CID 82847704

IUPACN-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1)N(C)C
InChIInChI=1S/C11H19N5O4S/c1-8(15(2)3)7-13-21(19,20)9-4-5-11(16(17)18)10(6-9)14-12/h4-6,8,13-14H,7,12H2,1-3H3
InChIKeyHJDLBAIMHUSMBP-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.11
Rot. Bonds7

About N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide

N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide (PubChem CID 82847704) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide
PubChem CID82847704
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC NameN-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1)N(C)C
InChIInChI=1S/C11H19N5O4S/c1-8(15(2)3)7-13-21(19,20)9-4-5-11(16(17)18)10(6-9)14-12/h4-6,8,13-14H,7,12H2,1-3H3
InChIKeyHJDLBAIMHUSMBP-UHFFFAOYSA-N
XLogP0.11
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
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': '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-[2-(dimethylamino)propyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844132
3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide
CID 82847669
N-(2-methylpropyl)-4-nitro-3-(propylamino)benzenesulfonamide
CID 82845990
N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847825
3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 82847527
3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
CID 82854516
4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide
CID 63959621
N-ethyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82854112
N-(2,2-difluoroethyl)-4-nitro-3-(propylamino)benzenesulfonamide
CID 82845650
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide (CID 82847704) is N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide is CC(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide?
The InChIKey is HJDLBAIMHUSMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-8(15(2)3)7-13-21(19,20)9-4-5-11(16(17)18)10(6-9)14-12/h4-6,8,13-14H,7,12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide?
N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 82847704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).