N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide

C14H14ClF2NO3S2 — CID 91631053

IUPACN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClF2NO3S2/c1-21-12(13-4-5-14(15)22-13)7-18-23(19,20)8-9-6-10(16)2-3-11(9)17/h2-6,12,18H,7-8H2,1H3
InChIKeyLFVWAIPLAMIGKZ-UHFFFAOYSA-N
MW381.85 g/mol
LogP3.49
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide (PubChem CID 91631053) has the molecular formula C14H14ClF2NO3S2 and a molecular weight of 381.85 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide
PubChem CID91631053
Molecular FormulaC14H14ClF2NO3S2
Molecular Weight381.85 g/mol
Exact Mass381.01
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClF2NO3S2/c1-21-12(13-4-5-14(15)22-13)7-18-23(19,20)8-9-6-10(16)2-3-11(9)17/h2-6,12,18H,7-8H2,1H3
InChIKeyLFVWAIPLAMIGKZ-UHFFFAOYSA-N
XLogP3.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide (CID 91631053) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide is COC(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The InChIKey is LFVWAIPLAMIGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NO3S2/c1-21-12(13-4-5-14(15)22-13)7-18-23(19,20)8-9-6-10(16)2-3-11(9)17/h2-6,12,18H,7-8H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide has a molecular weight of 381.85 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide is sourced from PubChem (CID 91631053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).