N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide

C14H14ClN3O4S2 — CID 17485175

IUPACN-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)NNC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14ClN3O4S2/c1-18(24(21,22)13-3-2-8-23-13)9-12(19)16-17-14(20)10-4-6-11(15)7-5-10/h2-8H,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyZAGDOYGDANSWIS-UHFFFAOYSA-N
MW387.87 g/mol
LogP1.48
Rot. Bonds5

About N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide

N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 17485175) has the molecular formula C14H14ClN3O4S2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
PubChem CID17485175
Molecular FormulaC14H14ClN3O4S2
Molecular Weight387.87 g/mol
Exact Mass387.01
IUPAC NameN-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)NNC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14ClN3O4S2/c1-18(24(21,22)13-3-2-8-23-13)9-12(19)16-17-14(20)10-4-6-11(15)7-5-10/h2-8H,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyZAGDOYGDANSWIS-UHFFFAOYSA-N
XLogP1.48
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 51.48
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

N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
4-chloro-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8500420
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 51307237
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide (CID 17485175) is N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide is CN(CC(=O)NNC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is ZAGDOYGDANSWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S2/c1-18(24(21,22)13-3-2-8-23-13)9-12(19)16-17-14(20)10-4-6-11(15)7-5-10/h2-8H,9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 387.87 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 17485175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).