N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide

C16H21ClN4O3S — CID 118021536

IUPACN-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(Cl)c(=O)n(C)c1
InChIInChI=1S/C16H21ClN4O3S/c1-4-6-7-11-9-18-16(20-25(23,24)5-2)19-14(11)12-8-13(17)15(22)21(3)10-12/h8-10H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyUMFJTSFWDQQUDC-UHFFFAOYSA-N
MW384.89 g/mol
LogP2.60
Rot. Bonds7

About N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide

N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide (PubChem CID 118021536) has the molecular formula C16H21ClN4O3S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide
PubChem CID118021536
Molecular FormulaC16H21ClN4O3S
Molecular Weight384.89 g/mol
Exact Mass384.10
IUPAC NameN-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(Cl)c(=O)n(C)c1
InChIInChI=1S/C16H21ClN4O3S/c1-4-6-7-11-9-18-16(20-25(23,24)5-2)19-14(11)12-8-13(17)15(22)21(3)10-12/h8-10H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyUMFJTSFWDQQUDC-UHFFFAOYSA-N
XLogP2.60
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide (CID 118021536) is N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide is CCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(Cl)c(=O)n(C)c1.
What is the InChIKey of N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
The InChIKey is UMFJTSFWDQQUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3S/c1-4-6-7-11-9-18-16(20-25(23,24)5-2)19-14(11)12-8-13(17)15(22)21(3)10-12/h8-10H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide has a molecular weight of 384.89 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-butyl-4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 118021536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).