N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide

C10H16N4O4S — CID 43142187

IUPACN-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H16N4O4S/c1-3-7(2)13-19(17,18)8-4-5-9(12-11)10(6-8)14(15)16/h4-7,12-13H,3,11H2,1-2H3
InChIKeyOCJGHSLYDSSCLA-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.96
Rot. Bonds6

About N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide

N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide (PubChem CID 43142187) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
PubChem CID43142187
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC NameN-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H16N4O4S/c1-3-7(2)13-19(17,18)8-4-5-9(12-11)10(6-8)14(15)16/h4-7,12-13H,3,11H2,1-2H3
InChIKeyOCJGHSLYDSSCLA-UHFFFAOYSA-N
XLogP0.96
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 64605293
N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847825
4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106330104
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142157
3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
CID 82854516
(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide
CID 43296192
4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide
CID 63959621
N-[(2R)-1-aminopropan-2-yl]-4-methyl-3-nitrobenzenesulfonamide
CID 104873342
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
4-(1-hydroxybutan-2-ylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 42909678
N-butan-2-yl-4-chloro-2-nitrobenzenesulfonamide
CID 42949762

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide?
The IUPAC name of N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide (CID 43142187) is N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide?
The InChIKey is OCJGHSLYDSSCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-3-7(2)13-19(17,18)8-4-5-9(12-11)10(6-8)14(15)16/h4-7,12-13H,3,11H2,1-2H3.
What are the key properties of N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide?
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 43142187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).