4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C16H16N4O2S2 — CID 44550927

IUPAC4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ccc(-c2ccnc(N(C)c3ccc(S(N)(=O)=O)cc3)n2)s1
InChIInChI=1S/C16H16N4O2S2/c1-11-3-8-15(23-11)14-9-10-18-16(19-14)20(2)12-4-6-13(7-5-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)
InChIKeyXWOIYAXPTUFYIP-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.93
Rot. Bonds4

About 4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 44550927) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID44550927
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ccc(-c2ccnc(N(C)c3ccc(S(N)(=O)=O)cc3)n2)s1
InChIInChI=1S/C16H16N4O2S2/c1-11-3-8-15(23-11)14-9-10-18-16(19-14)20(2)12-4-6-13(7-5-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)
InChIKeyXWOIYAXPTUFYIP-UHFFFAOYSA-N
XLogP2.93
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 44550927) is 4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide is Cc1ccc(-c2ccnc(N(C)c3ccc(S(N)(=O)=O)cc3)n2)s1.
What is the InChIKey of 4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is XWOIYAXPTUFYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-11-3-8-15(23-11)14-9-10-18-16(19-14)20(2)12-4-6-13(7-5-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22).
What are the key properties of 4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 360.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 44550927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).