N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide

C20H20ClN5O4S — CID 11547134

IUPACN-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3)c(Cl)c2)o1
InChIInChI=1S/C20H20ClN5O4S/c1-14-12-23-19(30-14)15-11-17(21)18(22-13-15)25-7-9-26(10-8-25)20(27)24-31(28,29)16-5-3-2-4-6-16/h2-6,11-13H,7-10H2,1H3,(H,24,27)
InChIKeyGMHMCXJIVCUHHK-UHFFFAOYSA-N
MW461.93 g/mol
LogP2.92
Rot. Bonds4

About N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide

N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 11547134) has the molecular formula C20H20ClN5O4S and a molecular weight of 461.93 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID11547134
Molecular FormulaC20H20ClN5O4S
Molecular Weight461.93 g/mol
Exact Mass461.09
IUPAC NameN-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3)c(Cl)c2)o1
InChIInChI=1S/C20H20ClN5O4S/c1-14-12-23-19(30-14)15-11-17(21)18(22-13-15)25-7-9-26(10-8-25)20(27)24-31(28,29)16-5-3-2-4-6-16/h2-6,11-13H,7-10H2,1H3,(H,24,27)
InChIKeyGMHMCXJIVCUHHK-UHFFFAOYSA-N
XLogP2.92
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (CID 11547134) is N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is Cc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3)c(Cl)c2)o1.
What is the InChIKey of N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is GMHMCXJIVCUHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O4S/c1-14-12-23-19(30-14)15-11-17(21)18(22-13-15)25-7-9-26(10-8-25)20(27)24-31(28,29)16-5-3-2-4-6-16/h2-6,11-13H,7-10H2,1H3,(H,24,27).
What are the key properties of N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 461.93 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 11547134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).