N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide

C14H17NO5S2 — CID 7268396

IUPACN-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNS(C)(=O)=O)c2ccco2)cc1
InChIInChI=1S/C14H17NO5S2/c1-11-5-7-12(8-6-11)22(18,19)14(10-15-21(2,16)17)13-4-3-9-20-13/h3-9,14-15H,10H2,1-2H3/t14-/m1/s1
InChIKeyUKZBDSLLJSHLPQ-CQSZACIVSA-N
MW343.43 g/mol
LogP1.65
Rot. Bonds6

About N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide

N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide (PubChem CID 7268396) has the molecular formula C14H17NO5S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
PubChem CID7268396
Molecular FormulaC14H17NO5S2
Molecular Weight343.43 g/mol
Exact Mass343.05
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNS(C)(=O)=O)c2ccco2)cc1
InChIInChI=1S/C14H17NO5S2/c1-11-5-7-12(8-6-11)22(18,19)14(10-15-21(2,16)17)13-4-3-9-20-13/h3-9,14-15H,10H2,1-2H3/t14-/m1/s1
InChIKeyUKZBDSLLJSHLPQ-CQSZACIVSA-N
XLogP1.65
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide
CID 18574141
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide
CID 41193070
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
methyl 3-[[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]sulfamoyl]propanoate
CID 9125346
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 41193057
phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
CID 7268077
4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40775182
3-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-methoxybenzenesulfonamide
CID 40775184
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
CID 7268411
N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]methanesulfonamide
CID 18574218
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 16829630

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide (CID 7268396) is N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide is Cc1ccc(S(=O)(=O)[C@H](CNS(C)(=O)=O)c2ccco2)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide?
The InChIKey is UKZBDSLLJSHLPQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO5S2/c1-11-5-7-12(8-6-11)22(18,19)14(10-15-21(2,16)17)13-4-3-9-20-13/h3-9,14-15H,10H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide?
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide has a molecular weight of 343.43 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide is sourced from PubChem (CID 7268396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).