N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide

C16H16ClN3O2S2 — CID 153465849

IUPACN-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1cccc(-c2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C16H16ClN3O2S2/c1-16(2,3)24(21,22)20-11-6-4-5-10(9-11)13-12-7-8-23-14(12)19-15(17)18-13/h4-9,20H,1-3H3
InChIKeyQMKLZDZBFJUPAS-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.55
Rot. Bonds3

About N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide

N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide (PubChem CID 153465849) has the molecular formula C16H16ClN3O2S2 and a molecular weight of 381.91 g/mol. Its IUPAC name is N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide
PubChem CID153465849
Molecular FormulaC16H16ClN3O2S2
Molecular Weight381.91 g/mol
Exact Mass381.04
IUPAC NameN-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1cccc(-c2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C16H16ClN3O2S2/c1-16(2,3)24(21,22)20-11-6-4-5-10(9-11)13-12-7-8-23-14(12)19-15(17)18-13/h4-9,20H,1-3H3
InChIKeyQMKLZDZBFJUPAS-UHFFFAOYSA-N
XLogP4.55
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide (CID 153465849) is N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1cccc(-c2nc(Cl)nc3sccc23)c1.
What is the InChIKey of N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide?
The InChIKey is QMKLZDZBFJUPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S2/c1-16(2,3)24(21,22)20-11-6-4-5-10(9-11)13-12-7-8-23-14(12)19-15(17)18-13/h4-9,20H,1-3H3.
What are the key properties of N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide?
N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide has a molecular weight of 381.91 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 153465849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).