N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

C16H15FN2O2S3 — CID 50835751

IUPACN-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)s2)n1
InChIInChI=1S/C16H15FN2O2S3/c1-9-4-5-12(6-13(9)17)19-24(20,21)15-7-14(23-11(15)3)16-18-10(2)8-22-16/h4-8,19H,1-3H3
InChIKeyZEGSDBSKQNYEBS-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.74
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 50835751) has the molecular formula C16H15FN2O2S3 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
PubChem CID50835751
Molecular FormulaC16H15FN2O2S3
Molecular Weight382.51 g/mol
Exact Mass382.03
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)s2)n1
InChIInChI=1S/C16H15FN2O2S3/c1-9-4-5-12(6-13(9)17)19-24(20,21)15-7-14(23-11(15)3)16-18-10(2)8-22-16/h4-8,19H,1-3H3
InChIKeyZEGSDBSKQNYEBS-UHFFFAOYSA-N
XLogP4.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (CID 50835751) is N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)s2)n1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is ZEGSDBSKQNYEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S3/c1-9-4-5-12(6-13(9)17)19-24(20,21)15-7-14(23-11(15)3)16-18-10(2)8-22-16/h4-8,19H,1-3H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 382.51 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 50835751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).