3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide

C12H18N4O4S — CID 115992966

IUPAC3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4S/c1-8-4-2-5-9(8)15-21(19,20)11-7-3-6-10(14-13)12(11)16(17)18/h3,6-9,14-15H,2,4-5,13H2,1H3
InChIKeySOYARYUTJUNFIF-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.35
Rot. Bonds5

About 3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide

3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide (PubChem CID 115992966) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide
PubChem CID115992966
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4S/c1-8-4-2-5-9(8)15-21(19,20)11-7-3-6-10(14-13)12(11)16(17)18/h3,6-9,14-15H,2,4-5,13H2,1H3
InChIKeySOYARYUTJUNFIF-UHFFFAOYSA-N
XLogP1.35
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.35
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

3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 112675174
3-fluoro-N-(2-methylpiperidin-3-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 120726621
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
CID 80900155
3-fluoro-N-(2-methoxycyclopentyl)-2-nitrobenzenesulfonamide
CID 115693926
N-(2-bromocyclohexyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 106441024
N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
CID 115992755
3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide
CID 114540123
N-[(2-methylcyclopentyl)methyl]-3-methylsulfonyl-2-nitroaniline
CID 107419341
N-(2-chlorocyclohexyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 106441960
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-5-nitrobenzenesulfonamide
CID 7798978
N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide
CID 64922831
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide (CID 115992966) is 3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide is CC1CCCC1NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide?
The InChIKey is SOYARYUTJUNFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-8-4-2-5-9(8)15-21(19,20)11-7-3-6-10(14-13)12(11)16(17)18/h3,6-9,14-15H,2,4-5,13H2,1H3.
What are the key properties of 3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide?
3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 115992966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).