5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide

C10H10ClN3O2S2 — CID 22202487

IUPAC5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C10H10ClN3O2S2/c1-6-5-7(2)13-10(12-6)14-18(15,16)9-4-3-8(11)17-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyXWALRFJSSMKWST-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.61
Rot. Bonds3

About 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide

5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide (PubChem CID 22202487) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
PubChem CID22202487
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C10H10ClN3O2S2/c1-6-5-7(2)13-10(12-6)14-18(15,16)9-4-3-8(11)17-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyXWALRFJSSMKWST-UHFFFAOYSA-N
XLogP2.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide (CID 22202487) is 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
The InChIKey is XWALRFJSSMKWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c1-6-5-7(2)13-10(12-6)14-18(15,16)9-4-3-8(11)17-9/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide has a molecular weight of 303.80 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22202487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).