N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide

C16H15N3O3S2 — CID 59159626

IUPACN-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCC(=O)c1sccc1NS(=O)(=O)c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C16H15N3O3S2/c1-11(20)16-15(6-7-23-16)18-24(21,22)14-5-3-4-12(8-14)13-9-17-19(2)10-13/h3-10,18H,1-2H3
InChIKeyNHSGNEOMKRWRGE-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.15
Rot. Bonds5

About N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide

N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 59159626) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID59159626
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCC(=O)c1sccc1NS(=O)(=O)c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C16H15N3O3S2/c1-11(20)16-15(6-7-23-16)18-24(21,22)14-5-3-4-12(8-14)13-9-17-19(2)10-13/h3-10,18H,1-2H3
InChIKeyNHSGNEOMKRWRGE-UHFFFAOYSA-N
XLogP3.15
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide
CID 59159589
N-(2-acetylthiophen-3-yl)-2-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 59159606
N-(2-acetylthiophen-3-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 59159615
N-[2-[(3S)-3-amino-6-(diaminomethylamino)-2-oxohexanoyl]thiophen-3-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 68024510
N-[2-[(3S)-3-amino-6-(diaminomethylamino)-2-oxohexanoyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 68024663
N-[2-[(3S)-3-amino-6-(diaminomethylamino)-2-oxohexanoyl]thiophen-3-yl]-3-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 69098309
N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 70933501
N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-3-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 70933542
N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 70933551
3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide
CID 142133826
N,N-dimethyl-4-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]benzenesulfonamide
CID 3569907
N,N-diethyl-4-[3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]benzenesulfonamide
CID 5240443

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 59159626) is N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide is CC(=O)c1sccc1NS(=O)(=O)c1cccc(-c2cnn(C)c2)c1.
What is the InChIKey of N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is NHSGNEOMKRWRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-11(20)16-15(6-7-23-16)18-24(21,22)14-5-3-4-12(8-14)13-9-17-19(2)10-13/h3-10,18H,1-2H3.
What are the key properties of N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide?
N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 361.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylthiophen-3-yl)-3-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 59159626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).