5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide

C11H12ClNO3S2 — CID 29355029

IUPAC5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)s2)o1
InChIInChI=1S/C11H12ClNO3S2/c1-7-3-4-9(16-7)8(2)13-18(14,15)11-6-5-10(12)17-11/h3-6,8,13H,1-2H3/t8-/m0/s1
InChIKeyOEJWPGKCVNCXIA-QMMMGPOBSA-N
MW305.81 g/mol
LogP3.34
Rot. Bonds4

About 5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 29355029) has the molecular formula C11H12ClNO3S2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID29355029
Molecular FormulaC11H12ClNO3S2
Molecular Weight305.81 g/mol
Exact Mass304.99
IUPAC Name5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)s2)o1
InChIInChI=1S/C11H12ClNO3S2/c1-7-3-4-9(16-7)8(2)13-18(14,15)11-6-5-10(12)17-11/h3-6,8,13H,1-2H3/t8-/m0/s1
InChIKeyOEJWPGKCVNCXIA-QMMMGPOBSA-N
XLogP3.34
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 3835268
5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43229148
N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 22772327
3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106611673
5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80730776
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723976
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 134017266
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652418
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 47109896
1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide
CID 83084663

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide (CID 29355029) is 5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide is Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)s2)o1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is OEJWPGKCVNCXIA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12ClNO3S2/c1-7-3-4-9(16-7)8(2)13-18(14,15)11-6-5-10(12)17-11/h3-6,8,13H,1-2H3/t8-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 305.81 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 29355029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).