N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide

C15H16ClN3O4S2 — CID 36855708

IUPACN-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O4S2/c16-12-5-3-11(4-6-12)10-14(21)19-18-13(20)7-8-17-25(22,23)15-2-1-9-24-15/h1-6,9,17H,7-8,10H2,(H,18,20)(H,19,21)
InChIKeyOXBVDHHIUFMLSL-UHFFFAOYSA-N
MW401.90 g/mol
LogP1.46
Rot. Bonds7

About N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide

N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide (PubChem CID 36855708) has the molecular formula C15H16ClN3O4S2 and a molecular weight of 401.90 g/mol. Its IUPAC name is N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide
PubChem CID36855708
Molecular FormulaC15H16ClN3O4S2
Molecular Weight401.90 g/mol
Exact Mass401.03
IUPAC NameN-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O4S2/c16-12-5-3-11(4-6-12)10-14(21)19-18-13(20)7-8-17-25(22,23)15-2-1-9-24-15/h1-6,9,17H,7-8,10H2,(H,18,20)(H,19,21)
InChIKeyOXBVDHHIUFMLSL-UHFFFAOYSA-N
XLogP1.46
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide (CID 36855708) is N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide is O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide?
The InChIKey is OXBVDHHIUFMLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4S2/c16-12-5-3-11(4-6-12)10-14(21)19-18-13(20)7-8-17-25(22,23)15-2-1-9-24-15/h1-6,9,17H,7-8,10H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide?
N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide has a molecular weight of 401.90 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 36855708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).