3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide

C17H16ClNO4S2 — CID 124727367

IUPAC3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC[C@](O)(c1ccsc1)c1ccco1
InChIInChI=1S/C17H16ClNO4S2/c1-12-14(18)4-2-5-15(12)25(21,22)19-11-17(20,13-7-9-24-10-13)16-6-3-8-23-16/h2-10,19-20H,11H2,1H3/t17-/m0/s1
InChIKeyLBOHMYNVKDUXLX-KRWDZBQOSA-N
MW397.91 g/mol
LogP3.52
Rot. Bonds6

About 3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide

3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide (PubChem CID 124727367) has the molecular formula C17H16ClNO4S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
PubChem CID124727367
Molecular FormulaC17H16ClNO4S2
Molecular Weight397.91 g/mol
Exact Mass397.02
IUPAC Name3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC[C@](O)(c1ccsc1)c1ccco1
InChIInChI=1S/C17H16ClNO4S2/c1-12-14(18)4-2-5-15(12)25(21,22)19-11-17(20,13-7-9-24-10-13)16-6-3-8-23-16/h2-10,19-20H,11H2,1H3/t17-/m0/s1
InChIKeyLBOHMYNVKDUXLX-KRWDZBQOSA-N
XLogP3.52
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 124761482
2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 124891054
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]pyridine-3-sulfonamide
CID 126850772
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 124892244
5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 124892273
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 119101140
3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 21110297
N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide
CID 131702588
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124892290
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 124891780
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 119101141
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide (CID 124727367) is 3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NC[C@](O)(c1ccsc1)c1ccco1.
What is the InChIKey of 3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
The InChIKey is LBOHMYNVKDUXLX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16ClNO4S2/c1-12-14(18)4-2-5-15(12)25(21,22)19-11-17(20,13-7-9-24-10-13)16-6-3-8-23-16/h2-10,19-20H,11H2,1H3/t17-/m0/s1.
What are the key properties of 3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide has a molecular weight of 397.91 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 124727367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).