2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide

C15H16ClN3O3S2 — CID 59052999

IUPAC2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
SMILESCCCc1cnc(SCC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc1
InChIInChI=1S/C15H16ClN3O3S2/c1-2-3-10-7-18-15(19-8-10)23-9-13(20)11-4-5-12(16)14(6-11)24(17,21)22/h4-8H,2-3,9H2,1H3,(H2,17,21,22)
InChIKeySOJYJLVMBOFVRW-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.70
Rot. Bonds7

About 2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide

2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide (PubChem CID 59052999) has the molecular formula C15H16ClN3O3S2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
PubChem CID59052999
Molecular FormulaC15H16ClN3O3S2
Molecular Weight385.90 g/mol
Exact Mass385.03
IUPAC Name2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
SMILESCCCc1cnc(SCC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc1
InChIInChI=1S/C15H16ClN3O3S2/c1-2-3-10-7-18-15(19-8-10)23-9-13(20)11-4-5-12(16)14(6-11)24(17,21)22/h4-8H,2-3,9H2,1H3,(H2,17,21,22)
InChIKeySOJYJLVMBOFVRW-UHFFFAOYSA-N
XLogP2.70
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide (CID 59052999) is 2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide is CCCc1cnc(SCC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc1.
What is the InChIKey of 2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
The InChIKey is SOJYJLVMBOFVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S2/c1-2-3-10-7-18-15(19-8-10)23-9-13(20)11-4-5-12(16)14(6-11)24(17,21)22/h4-8H,2-3,9H2,1H3,(H2,17,21,22).
What are the key properties of 2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide has a molecular weight of 385.90 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide is sourced from PubChem (CID 59052999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).