5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide

C16H17ClN6O2S2 — CID 58169441

IUPAC5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CCCC4)[nH]n3)n2)s1
InChIInChI=1S/C16H17ClN6O2S2/c17-10-8-19-16(12-5-6-14(26-12)27(18,24)25)21-15(10)20-13-7-11(22-23-13)9-3-1-2-4-9/h5-9H,1-4H2,(H2,18,24,25)(H2,19,20,21,22,23)
InChIKeyJWTHJSHFYDRTSM-UHFFFAOYSA-N
MW424.94 g/mol
LogP3.63
Rot. Bonds5

About 5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide

5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide (PubChem CID 58169441) has the molecular formula C16H17ClN6O2S2 and a molecular weight of 424.94 g/mol. Its IUPAC name is 5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
PubChem CID58169441
Molecular FormulaC16H17ClN6O2S2
Molecular Weight424.94 g/mol
Exact Mass424.05
IUPAC Name5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CCCC4)[nH]n3)n2)s1
InChIInChI=1S/C16H17ClN6O2S2/c17-10-8-19-16(12-5-6-14(26-12)27(18,24)25)21-15(10)20-13-7-11(22-23-13)9-3-1-2-4-9/h5-9H,1-4H2,(H2,18,24,25)(H2,19,20,21,22,23)
InChIKeyJWTHJSHFYDRTSM-UHFFFAOYSA-N
XLogP3.63
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide (CID 58169441) is 5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CCCC4)[nH]n3)n2)s1.
What is the InChIKey of 5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
The InChIKey is JWTHJSHFYDRTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O2S2/c17-10-8-19-16(12-5-6-14(26-12)27(18,24)25)21-15(10)20-13-7-11(22-23-13)9-3-1-2-4-9/h5-9H,1-4H2,(H2,18,24,25)(H2,19,20,21,22,23).
What are the key properties of 5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide has a molecular weight of 424.94 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 58169441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).