3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide

C14H13N3O5S — CID 19167027

IUPAC3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide
SMILESCc1cccc(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13N3O5S/c1-10-3-2-4-11(9-10)14(18)15-16-23(21,22)13-7-5-12(6-8-13)17(19)20/h2-9,16H,1H3,(H,15,18)
InChIKeyYTPJWXUPEBCCDQ-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.53
Rot. Bonds5

About 3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide

3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide (PubChem CID 19167027) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide
PubChem CID19167027
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide
SMILESCc1cccc(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13N3O5S/c1-10-3-2-4-11(9-10)14(18)15-16-23(21,22)13-7-5-12(6-8-13)17(19)20/h2-9,16H,1H3,(H,15,18)
InChIKeyYTPJWXUPEBCCDQ-UHFFFAOYSA-N
XLogP1.53
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 1129573
N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
CID 732337
3-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108573729
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 122714277
2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide
CID 807989
N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
CID 17368436
N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 55704286
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4729926
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
CID 3409040

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
The IUPAC name of 3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide (CID 19167027) is 3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide is Cc1cccc(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
The InChIKey is YTPJWXUPEBCCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-10-3-2-4-11(9-10)14(18)15-16-23(21,22)13-7-5-12(6-8-13)17(19)20/h2-9,16H,1H3,(H,15,18).
What are the key properties of 3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide has a molecular weight of 335.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 19167027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).