3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

C10H11N5O4S2 — CID 82847839

IUPAC3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESNNc1cc(S(=O)(=O)NCc2cscn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O4S2/c11-14-9-3-8(1-2-10(9)15(16)17)21(18,19)13-4-7-5-20-6-12-7/h1-3,5-6,13-14H,4,11H2
InChIKeyMQFMFLNFJIZFHP-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.82
Rot. Bonds6

About 3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 82847839) has the molecular formula C10H11N5O4S2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID82847839
Molecular FormulaC10H11N5O4S2
Molecular Weight329.36 g/mol
Exact Mass329.03
IUPAC Name3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESNNc1cc(S(=O)(=O)NCc2cscn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O4S2/c11-14-9-3-8(1-2-10(9)15(16)17)21(18,19)13-4-7-5-20-6-12-7/h1-3,5-6,13-14H,4,11H2
InChIKeyMQFMFLNFJIZFHP-UHFFFAOYSA-N
XLogP0.82
TPSA140.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
CID 82847849
5-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 80741647
4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824323
4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 113288438
2-amino-5-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824001
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55261426
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
CID 63823461
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 49458352
N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847704
2,4-dinitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 49430909

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 82847839) is 3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is NNc1cc(S(=O)(=O)NCc2cscn2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is MQFMFLNFJIZFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S2/c11-14-9-3-8(1-2-10(9)15(16)17)21(18,19)13-4-7-5-20-6-12-7/h1-3,5-6,13-14H,4,11H2.
What are the key properties of 3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 329.36 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 82847839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).