N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide

C14H13ClN4O4S — CID 55590636

IUPACN'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNS(=O)(=O)c2ncn(C)c2Cl)oc2ccccc12
InChIInChI=1S/C14H13ClN4O4S/c1-8-9-5-3-4-6-10(9)23-11(8)13(20)17-18-24(21,22)14-12(15)19(2)7-16-14/h3-7,18H,1-2H3,(H,17,20)
InChIKeyVDLNNMCCSRUUNL-UHFFFAOYSA-N
MW368.80 g/mol
LogP1.75
Rot. Bonds4

About N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide

N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 55590636) has the molecular formula C14H13ClN4O4S and a molecular weight of 368.80 g/mol. Its IUPAC name is N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID55590636
Molecular FormulaC14H13ClN4O4S
Molecular Weight368.80 g/mol
Exact Mass368.03
IUPAC NameN'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNS(=O)(=O)c2ncn(C)c2Cl)oc2ccccc12
InChIInChI=1S/C14H13ClN4O4S/c1-8-9-5-3-4-6-10(9)23-11(8)13(20)17-18-24(21,22)14-12(15)19(2)7-16-14/h3-7,18H,1-2H3,(H,17,20)
InChIKeyVDLNNMCCSRUUNL-UHFFFAOYSA-N
XLogP1.75
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
CID 24662390
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 51166600
N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
CID 39826924
5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 24665378
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26813929
N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 46107046
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 24607746
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26873876
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8919323

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide (CID 55590636) is N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNS(=O)(=O)c2ncn(C)c2Cl)oc2ccccc12.
What is the InChIKey of N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is VDLNNMCCSRUUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O4S/c1-8-9-5-3-4-6-10(9)23-11(8)13(20)17-18-24(21,22)14-12(15)19(2)7-16-14/h3-7,18H,1-2H3,(H,17,20).
What are the key properties of N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide?
N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 368.80 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 55590636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).