2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide

C13H10ClN3O5S — CID 1129578

IUPAC2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C13H10ClN3O5S/c14-10-6-2-1-5-9(10)13(18)15-16-23(21,22)12-8-4-3-7-11(12)17(19)20/h1-8,16H,(H,15,18)
InChIKeyKMHNKUWMUIAYIQ-UHFFFAOYSA-N
MW355.76 g/mol
LogP1.87
Rot. Bonds5

About 2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide

2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide (PubChem CID 1129578) has the molecular formula C13H10ClN3O5S and a molecular weight of 355.76 g/mol. Its IUPAC name is 2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide
PubChem CID1129578
Molecular FormulaC13H10ClN3O5S
Molecular Weight355.76 g/mol
Exact Mass355.00
IUPAC Name2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C13H10ClN3O5S/c14-10-6-2-1-5-9(10)13(18)15-16-23(21,22)12-8-4-3-7-11(12)17(19)20/h1-8,16H,(H,15,18)
InChIKeyKMHNKUWMUIAYIQ-UHFFFAOYSA-N
XLogP1.87
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 51.87
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

N'-[(4-fluorophenyl)sulfonyl]-4-nitrobenzohydrazide
CID 3113467
2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide
CID 11239299
N-Benzoyl-2-nitrobenzenesulfonamide
CID 975306
N'-(benzenesulfonyl)-4-nitrobenzohydrazide
CID 3102012
N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide
CID 11439243
3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 762361
2-(4-chlorophenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 1129575
3-chloro-N'-[(2-nitrophenyl)sulfonyl]benzohydrazide
CID 3288552
2-nitro-N'-{2-nitrobenzoyl}benzenesulfonohydrazide
CID 3435810
2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide
CID 11211061
N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 268522
N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 775940

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The IUPAC name of 2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide (CID 1129578) is 2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The InChIKey is KMHNKUWMUIAYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O5S/c14-10-6-2-1-5-9(10)13(18)15-16-23(21,22)12-8-4-3-7-11(12)17(19)20/h1-8,16H,(H,15,18).
What are the key properties of 2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide has a molecular weight of 355.76 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 1129578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).