N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide

C14H18ClN5O3S — CID 120959975

IUPACN-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
SMILESCN1CCNCC1c1noc(-c2cc(Cl)ccc2NS(C)(=O)=O)n1
InChIInChI=1S/C14H18ClN5O3S/c1-20-6-5-16-8-12(20)13-17-14(23-18-13)10-7-9(15)3-4-11(10)19-24(2,21)22/h3-4,7,12,16,19H,5-6,8H2,1-2H3
InChIKeyPSTIDSXFWQIRCX-UHFFFAOYSA-N
MW371.85 g/mol
LogP1.34
Rot. Bonds4

About N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide

N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide (PubChem CID 120959975) has the molecular formula C14H18ClN5O3S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
PubChem CID120959975
Molecular FormulaC14H18ClN5O3S
Molecular Weight371.85 g/mol
Exact Mass371.08
IUPAC NameN-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
SMILESCN1CCNCC1c1noc(-c2cc(Cl)ccc2NS(C)(=O)=O)n1
InChIInChI=1S/C14H18ClN5O3S/c1-20-6-5-16-8-12(20)13-17-14(23-18-13)10-7-9(15)3-4-11(10)19-24(2,21)22/h3-4,7,12,16,19H,5-6,8H2,1-2H3
InChIKeyPSTIDSXFWQIRCX-UHFFFAOYSA-N
XLogP1.34
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide (CID 120959975) is N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide is CN1CCNCC1c1noc(-c2cc(Cl)ccc2NS(C)(=O)=O)n1.
What is the InChIKey of N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is PSTIDSXFWQIRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O3S/c1-20-6-5-16-8-12(20)13-17-14(23-18-13)10-7-9(15)3-4-11(10)19-24(2,21)22/h3-4,7,12,16,19H,5-6,8H2,1-2H3.
What are the key properties of N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 371.85 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 120959975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).