5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide

C16H15N3O4S3 — CID 8523310

IUPAC5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)s1
InChIInChI=1S/C16H15N3O4S3/c1-11-3-10-16(24-11)26(22,23)19-13-6-4-12(5-7-13)14-8-9-15(18-17-14)25(2,20)21/h3-10,19H,1-2H3
InChIKeySHDKOUGGLUUGIS-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.72
Rot. Bonds5

About 5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide

5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 8523310) has the molecular formula C16H15N3O4S3 and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
PubChem CID8523310
Molecular FormulaC16H15N3O4S3
Molecular Weight409.51 g/mol
Exact Mass409.02
IUPAC Name5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)s1
InChIInChI=1S/C16H15N3O4S3/c1-11-3-10-16(24-11)26(22,23)19-13-6-4-12(5-7-13)14-8-9-15(18-17-14)25(2,20)21/h3-10,19H,1-2H3
InChIKeySHDKOUGGLUUGIS-UHFFFAOYSA-N
XLogP2.72
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305
4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159305
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 122284540
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
5-ethyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 26843024
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159417
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide
CID 41159413
5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide
CID 112980180
5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986153
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 106911287

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide (CID 8523310) is 5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)s1.
What is the InChIKey of 5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is SHDKOUGGLUUGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S3/c1-11-3-10-16(24-11)26(22,23)19-13-6-4-12(5-7-13)14-8-9-15(18-17-14)25(2,20)21/h3-10,19H,1-2H3.
What are the key properties of 5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 409.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 8523310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).