4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide

C17H14N2O3S3 — CID 129417818

IUPAC4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1
InChIInChI=1S/C17H14N2O3S3/c18-10-13-3-5-15(6-4-13)25(21,22)19-12-17(20,14-7-9-23-11-14)16-2-1-8-24-16/h1-9,11,19-20H,12H2/t17-/m1/s1
InChIKeySSZBCTMDNXQTPN-QGZVFWFLSA-N
MW390.51 g/mol
LogP2.90
Rot. Bonds6

About 4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide

4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide (PubChem CID 129417818) has the molecular formula C17H14N2O3S3 and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide
PubChem CID129417818
Molecular FormulaC17H14N2O3S3
Molecular Weight390.51 g/mol
Exact Mass390.02
IUPAC Name4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1
InChIInChI=1S/C17H14N2O3S3/c18-10-13-3-5-15(6-4-13)25(21,22)19-12-17(20,14-7-9-23-11-14)16-2-1-8-24-16/h1-9,11,19-20H,12H2/t17-/m1/s1
InChIKeySSZBCTMDNXQTPN-QGZVFWFLSA-N
XLogP2.90
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 121170241
4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 121170202
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-propan-2-ylbenzenesulfonamide
CID 121170206
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 121170267
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760232
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760233
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide
CID 124878125
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 121170234
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-nitrobenzenesulfonamide
CID 121170212
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 124878466
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 121170237
(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide
CID 124878567

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide (CID 129417818) is 4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1.
What is the InChIKey of 4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The InChIKey is SSZBCTMDNXQTPN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14N2O3S3/c18-10-13-3-5-15(6-4-13)25(21,22)19-12-17(20,14-7-9-23-11-14)16-2-1-8-24-16/h1-9,11,19-20H,12H2/t17-/m1/s1.
What are the key properties of 4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 129417818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).