2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide

C10H15FN4O5S — CID 62335849

IUPAC2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN
InChIInChI=1S/C10H15FN4O5S/c1-6(16)5-14(2)21(19,20)10-8(11)3-7(15(17)18)4-9(10)13-12/h3-4,6,13,16H,5,12H2,1-2H3
InChIKeyOWWCXYUFMQIQBI-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.02
Rot. Bonds6

About 2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide

2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide (PubChem CID 62335849) has the molecular formula C10H15FN4O5S and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide
PubChem CID62335849
Molecular FormulaC10H15FN4O5S
Molecular Weight322.32 g/mol
Exact Mass322.07
IUPAC Name2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN
InChIInChI=1S/C10H15FN4O5S/c1-6(16)5-14(2)21(19,20)10-8(11)3-7(15(17)18)4-9(10)13-12/h3-4,6,13,16H,5,12H2,1-2H3
InChIKeyOWWCXYUFMQIQBI-UHFFFAOYSA-N
XLogP0.02
TPSA138.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.02
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

N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985894
2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62692698
N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985950
2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide
CID 60985877
N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985987
5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741936
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 62151022
3-amino-4-fluoro-N-(2-hydroxypropyl)-N,2,6-trimethylbenzenesulfonamide
CID 107325795
2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide
CID 61036668
4-(ethylamino)-N-(2-hydroxypropyl)-N-methyl-3-nitrobenzenesulfonamide
CID 62337410
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide
CID 43296192

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of 2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide (CID 62335849) is 2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide is CC(O)CN(C)S(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN.
What is the InChIKey of 2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide?
The InChIKey is OWWCXYUFMQIQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O5S/c1-6(16)5-14(2)21(19,20)10-8(11)3-7(15(17)18)4-9(10)13-12/h3-4,6,13,16H,5,12H2,1-2H3.
What are the key properties of 2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide?
2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide has a molecular weight of 322.32 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62335849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).