N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide

C11H16N4O4S — CID 115992755

IUPACN-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4S/c1-14(7-8-5-6-8)20(18,19)10-4-2-3-9(13-12)11(10)15(16)17/h2-4,8,13H,5-7,12H2,1H3
InChIKeyBSNAWEVSHXBCPD-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.91
Rot. Bonds6

About N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide

N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide (PubChem CID 115992755) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
PubChem CID115992755
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC NameN-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4S/c1-14(7-8-5-6-8)20(18,19)10-4-2-3-9(13-12)11(10)15(16)17/h2-4,8,13H,5-7,12H2,1H3
InChIKeyBSNAWEVSHXBCPD-UHFFFAOYSA-N
XLogP0.91
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
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-amino-N-(cyclopropylmethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 112675324
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985425
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
CID 63656151
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
CID 115992675
3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 112675174
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
CID 112675307
1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80902402
N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80901021
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
CID 112675323
N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 80919667

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide (CID 115992755) is N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide is CN(CC1CC1)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide?
The InChIKey is BSNAWEVSHXBCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-14(7-8-5-6-8)20(18,19)10-4-2-3-9(13-12)11(10)15(16)17/h2-4,8,13H,5-7,12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide?
N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 115992755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).