N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide

C12H13ClN2O3S2 — CID 75392450

IUPACN-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(OCc2cnc(Cl)s2)cc1)S(C)(=O)=O
InChIInChI=1S/C12H13ClN2O3S2/c1-15(20(2,16)17)9-3-5-10(6-4-9)18-8-11-7-14-12(13)19-11/h3-7H,8H2,1-2H3
InChIKeyBLGUELMEBGHXJH-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.77
Rot. Bonds5

About N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide

N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide (PubChem CID 75392450) has the molecular formula C12H13ClN2O3S2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide
PubChem CID75392450
Molecular FormulaC12H13ClN2O3S2
Molecular Weight332.83 g/mol
Exact Mass332.01
IUPAC NameN-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(OCc2cnc(Cl)s2)cc1)S(C)(=O)=O
InChIInChI=1S/C12H13ClN2O3S2/c1-15(20(2,16)17)9-3-5-10(6-4-9)18-8-11-7-14-12(13)19-11/h3-7H,8H2,1-2H3
InChIKeyBLGUELMEBGHXJH-UHFFFAOYSA-N
XLogP2.77
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide (CID 75392450) is N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide is CN(c1ccc(OCc2cnc(Cl)s2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide?
The InChIKey is BLGUELMEBGHXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S2/c1-15(20(2,16)17)9-3-5-10(6-4-9)18-8-11-7-14-12(13)19-11/h3-7H,8H2,1-2H3.
What are the key properties of N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide?
N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide has a molecular weight of 332.83 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 75392450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).