N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide

C13H14N2O3S2 — CID 8617039

IUPACN'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1C
InChIInChI=1S/C13H14N2O3S2/c1-9-5-6-11(8-10(9)2)20(17,18)15-14-13(16)12-4-3-7-19-12/h3-8,15H,1-2H3,(H,14,16)
InChIKeyZUAMWSHUHRIMOJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.99
Rot. Bonds4

About N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide

N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide (PubChem CID 8617039) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide
PubChem CID8617039
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1C
InChIInChI=1S/C13H14N2O3S2/c1-9-5-6-11(8-10(9)2)20(17,18)15-14-13(16)12-4-3-7-19-12/h3-8,15H,1-2H3,(H,14,16)
InChIKeyZUAMWSHUHRIMOJ-UHFFFAOYSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617155
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617065
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 26980277
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 9085464
N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide
CID 8617069
N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 920970
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide
CID 9157485
N'-(4-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3316001
N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 30711252
N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide
CID 19023194

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide?
The IUPAC name of N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide (CID 8617039) is N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide?
The InChIKey is ZUAMWSHUHRIMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-9-5-6-11(8-10(9)2)20(17,18)15-14-13(16)12-4-3-7-19-12/h3-8,15H,1-2H3,(H,14,16).
What are the key properties of N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide?
N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide has a molecular weight of 310.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide is sourced from PubChem (CID 8617039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).