N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide

C14H17NO4S3 — CID 7280102

IUPACN-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H17NO4S3/c1-2-21(16,17)15-11-14(13-9-6-10-20-13)22(18,19)12-7-4-3-5-8-12/h3-10,14-15H,2,11H2,1H3/t14-/m0/s1
InChIKeyOZPYYADQIFWDCY-AWEZNQCLSA-N
MW359.49 g/mol
LogP2.20
Rot. Bonds7

About N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide

N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide (PubChem CID 7280102) has the molecular formula C14H17NO4S3 and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide
PubChem CID7280102
Molecular FormulaC14H17NO4S3
Molecular Weight359.49 g/mol
Exact Mass359.03
IUPAC NameN-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H17NO4S3/c1-2-21(16,17)15-11-14(13-9-6-10-20-13)22(18,19)12-7-4-3-5-8-12/h3-10,14-15H,2,11H2,1H3/t14-/m0/s1
InChIKeyOZPYYADQIFWDCY-AWEZNQCLSA-N
XLogP2.20
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193427
4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193494
N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]methanesulfonamide
CID 18574218
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]propane-1-sulfonamide
CID 9162464
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
CID 7268431
2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride
CID 20982711
N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 22583984
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 7268429
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-thiophen-2-ylethyl]propane-1-sulfonamide
CID 9162389
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010
4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 16829644
4-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193498

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide?
The IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide (CID 7280102) is N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide?
The canonical SMILES for N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide is CCS(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide?
The InChIKey is OZPYYADQIFWDCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17NO4S3/c1-2-21(16,17)15-11-14(13-9-6-10-20-13)22(18,19)12-7-4-3-5-8-12/h3-10,14-15H,2,11H2,1H3/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide?
N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide has a molecular weight of 359.49 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide is sourced from PubChem (CID 7280102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).