N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C15H12ClN3O3S2 — CID 53134876

IUPACN-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)NCc3ccccc3Cl)c2)n[nH]1
InChIInChI=1S/C15H12ClN3O3S2/c16-12-4-2-1-3-10(12)8-17-24(21,22)15-7-11(9-23-15)13-5-6-14(20)19-18-13/h1-7,9,17H,8H2,(H,19,20)
InChIKeySIINVPNYNFIPEV-UHFFFAOYSA-N
MW381.87 g/mol
LogP2.63
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134876) has the molecular formula C15H12ClN3O3S2 and a molecular weight of 381.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134876
Molecular FormulaC15H12ClN3O3S2
Molecular Weight381.87 g/mol
Exact Mass381.00
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)NCc3ccccc3Cl)c2)n[nH]1
InChIInChI=1S/C15H12ClN3O3S2/c16-12-4-2-1-3-10(12)8-17-24(21,22)15-7-11(9-23-15)13-5-6-14(20)19-18-13/h1-7,9,17H,8H2,(H,19,20)
InChIKeySIINVPNYNFIPEV-UHFFFAOYSA-N
XLogP2.63
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-Methylphenyl)methyl]-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939845
3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide
CID 2819662
5-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 20923041
N-benzyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 45106660
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20922995
N-[(4-fluorophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923055
N-[(4-Fluorophenyl)methyl]-4-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 53134927
N-(3-chloro-4-fluorophenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 53134934
N-(4-chloro-2-fluorophenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 53134938
N-(2-chloro-4-fluorophenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 53134941
N-[(3-Chloro-4-fluorophenyl)methyl]-4-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 53135074
N-[(2-Chloro-4-fluorophenyl)methyl]-4-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 53135075

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 53134876) is N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2csc(S(=O)(=O)NCc3ccccc3Cl)c2)n[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is SIINVPNYNFIPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S2/c16-12-4-2-1-3-10(12)8-17-24(21,22)15-7-11(9-23-15)13-5-6-14(20)19-18-13/h1-7,9,17H,8H2,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 381.87 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).