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

C14H14ClF2NO3S2 — CID 100729745

IUPACN-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide
SMILESCO[C@@H](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/t12-/m0/s1
InChIKeyLFVWAIPLAMIGKZ-LBPRGKRZSA-N
MW381.85 g/mol
LogP3.49
Rot. Bonds7

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

N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide (PubChem CID 100729745) has the molecular formula C14H14ClF2NO3S2 and a molecular weight of 381.85 g/mol. Its IUPAC name is N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide
PubChem CID100729745
Molecular FormulaC14H14ClF2NO3S2
Molecular Weight381.85 g/mol
Exact Mass381.01
IUPAC NameN-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide
SMILESCO[C@@H](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/t12-/m0/s1
InChIKeyLFVWAIPLAMIGKZ-LBPRGKRZSA-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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Related Compounds

3-chloro-4-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 52992633
1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 56764052
1-(3,5-Difluorophenyl)-N-[2-methoxy-2-(thiophen-3-YL)ethyl]methanesulfonamide
CID 71804783
5-Chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-sulfonamide
CID 71810668
N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide
CID 73168429
(4-fluoro-2-tolylsulfonyl)[(R)-2-methoxy-2-(3-thienyl)ethyl]amine
CID 97414469
[(R)-2-methoxy-2-(3-thienyl)ethyl][m-(trifluoromethyl)phenylsulfonyl]amine
CID 97414489
1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide
CID 97414493
[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl][p-(trifluoromethyl)phenylsulfonyl]amine
CID 97417526
5-Chlorothiophene-3-sulfonic acid[2-(4-fluorophenyl)-2-methoxymethoxyethyl]-methyl-amide
CID 21098654
3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 175789626
3-chloro-4-fluoro-N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 52416862

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The IUPAC name of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide (CID 100729745) is N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide is CO[C@@H](CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccc(Cl)s1.
What is the InChIKey of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The InChIKey is LFVWAIPLAMIGKZ-LBPRGKRZSA-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/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
N-[(2S)-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-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide is sourced from PubChem (CID 100729745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).