4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide

C12H20N4O4S — CID 63004068

IUPAC4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O4S/c1-9(2)4-3-7-14-21(19,20)12-6-5-10(15-13)8-11(12)16(17)18/h5-6,8-9,14-15H,3-4,7,13H2,1-2H3
InChIKeyCVDQBPXLUAAFCM-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.59
Rot. Bonds8

About 4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide

4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide (PubChem CID 63004068) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
PubChem CID63004068
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O4S/c1-9(2)4-3-7-14-21(19,20)12-6-5-10(15-13)8-11(12)16(17)18/h5-6,8-9,14-15H,3-4,7,13H2,1-2H3
InChIKeyCVDQBPXLUAAFCM-UHFFFAOYSA-N
XLogP1.59
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2,3-dimethylbutyl)-4-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598177
N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 3322272
5-amino-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 63004393
2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate
CID 83205612
2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide
CID 43545770
N-butyl-4-(ethylamino)-2-nitrobenzenesulfonamide
CID 62148528
N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60989360
4-(methylamino)-2-nitro-N-propylbenzenesulfonamide
CID 62148432
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115992956
4-chloro-N-(4-methylpentyl)-3-nitrobenzenesulfonamide
CID 61046724
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
4-(methylamino)-N-(4-methylpentyl)-3-nitrobenzenesulfonamide
CID 63002612

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide (CID 63004068) is 4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide is CC(C)CCCNS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-].
What is the InChIKey of 4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide?
The InChIKey is CVDQBPXLUAAFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-9(2)4-3-7-14-21(19,20)12-6-5-10(15-13)8-11(12)16(17)18/h5-6,8-9,14-15H,3-4,7,13H2,1-2H3.
What are the key properties of 4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide?
4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 63004068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).