N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide

C11H19N5O4S — CID 82939806

IUPACN-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C11H19N5O4S/c1-8(7-15(2)3)14-21(19,20)11-6-9(16(17)18)4-5-10(11)13-12/h4-6,8,13-14H,7,12H2,1-3H3
InChIKeyMQZBGUZQDGHEAK-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.11
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide

N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide (PubChem CID 82939806) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
PubChem CID82939806
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C11H19N5O4S/c1-8(7-15(2)3)14-21(19,20)11-6-9(16(17)18)4-5-10(11)13-12/h4-6,8,13-14H,7,12H2,1-3H3
InChIKeyMQZBGUZQDGHEAK-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

2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298
2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191221
2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 62148796
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324
N-hexan-2-yl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62199906
N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43569509
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzenesulfonamide
CID 64644430
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43325252
2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 43325303
2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 43552599
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
4-amino-N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-nitrobenzenesulfonamide
CID 82940774

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide (CID 82939806) is N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide is CC(CN(C)C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide?
The InChIKey is MQZBGUZQDGHEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-8(7-15(2)3)14-21(19,20)11-6-9(16(17)18)4-5-10(11)13-12/h4-6,8,13-14H,7,12H2,1-3H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide?
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-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-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 82939806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).