N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide

C15H15ClN2O5S — CID 31289347

IUPACN'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c(C)o1
InChIInChI=1S/C15H15ClN2O5S/c1-8-6-11(9(2)23-8)14(19)17-18-15(20)12-7-10(24(3,21)22)4-5-13(12)16/h4-7H,1-3H3,(H,17,19)(H,18,20)
InChIKeyBDTPCUOVSIGJMD-UHFFFAOYSA-N
MW370.81 g/mol
LogP2.03
Rot. Bonds3

About N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide

N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 31289347) has the molecular formula C15H15ClN2O5S and a molecular weight of 370.81 g/mol. Its IUPAC name is N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
PubChem CID31289347
Molecular FormulaC15H15ClN2O5S
Molecular Weight370.81 g/mol
Exact Mass370.04
IUPAC NameN'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c(C)o1
InChIInChI=1S/C15H15ClN2O5S/c1-8-6-11(9(2)23-8)14(19)17-18-15(20)12-7-10(24(3,21)22)4-5-13(12)16/h4-7H,1-3H3,(H,17,19)(H,18,20)
InChIKeyBDTPCUOVSIGJMD-UHFFFAOYSA-N
XLogP2.03
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 26895477
2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 4845850
N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide
CID 78773954
N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 51166128
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide (CID 31289347) is N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c(C)o1.
What is the InChIKey of N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is BDTPCUOVSIGJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5S/c1-8-6-11(9(2)23-8)14(19)17-18-15(20)12-7-10(24(3,21)22)4-5-13(12)16/h4-7H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 370.81 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 31289347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).