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

C21H22ClN5O4S — CID 11705595

IUPACN-(benzenesulfonyl)-4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3)c(Cl)c2)o1
InChIInChI=1S/C21H22ClN5O4S/c1-2-16-14-24-20(31-16)15-12-18(22)19(23-13-15)26-8-10-27(11-9-26)21(28)25-32(29,30)17-6-4-3-5-7-17/h3-7,12-14H,2,8-11H2,1H3,(H,25,28)
InChIKeyOKVOIJXNIGRZNY-UHFFFAOYSA-N
MW475.96 g/mol
LogP3.17
Rot. Bonds5

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

N-(benzenesulfonyl)-4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 11705595) has the molecular formula C21H22ClN5O4S and a molecular weight of 475.96 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID11705595
Molecular FormulaC21H22ClN5O4S
Molecular Weight475.96 g/mol
Exact Mass475.11
IUPAC NameN-(benzenesulfonyl)-4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3)c(Cl)c2)o1
InChIInChI=1S/C21H22ClN5O4S/c1-2-16-14-24-20(31-16)15-12-18(22)19(23-13-15)26-8-10-27(11-9-26)21(28)25-32(29,30)17-6-4-3-5-7-17/h3-7,12-14H,2,8-11H2,1H3,(H,25,28)
InChIKeyOKVOIJXNIGRZNY-UHFFFAOYSA-N
XLogP3.17
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.96
LogP ≤ 53.17
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-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (CID 11705595) is N-(benzenesulfonyl)-4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is CCc1cnc(-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-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is OKVOIJXNIGRZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O4S/c1-2-16-14-24-20(31-16)15-12-18(22)19(23-13-15)26-8-10-27(11-9-26)21(28)25-32(29,30)17-6-4-3-5-7-17/h3-7,12-14H,2,8-11H2,1H3,(H,25,28).
What are the key properties of N-(benzenesulfonyl)-4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
N-(benzenesulfonyl)-4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 475.96 g/mol, XLogP of 3.17, 5 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-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 11705595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).