2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile

C15H14ClNO2S2 — CID 6927365

IUPAC2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile
SMILESCC[C@@H](C)S(=O)(=O)c1scc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C15H14ClNO2S2/c1-3-10(2)21(18,19)15-13(8-17)14(9-20-15)11-4-6-12(16)7-5-11/h4-7,9-10H,3H2,1-2H3/t10-/m1/s1
InChIKeyZNEORAWGNSFKQW-SNVBAGLBSA-N
MW339.87 g/mol
LogP4.51
Rot. Bonds4

About 2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile

2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile (PubChem CID 6927365) has the molecular formula C15H14ClNO2S2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile
PubChem CID6927365
Molecular FormulaC15H14ClNO2S2
Molecular Weight339.87 g/mol
Exact Mass339.02
IUPAC Name2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile
SMILESCC[C@@H](C)S(=O)(=O)c1scc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C15H14ClNO2S2/c1-3-10(2)21(18,19)15-13(8-17)14(9-20-15)11-4-6-12(16)7-5-11/h4-7,9-10H,3H2,1-2H3/t10-/m1/s1
InChIKeyZNEORAWGNSFKQW-SNVBAGLBSA-N
XLogP4.51
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-ylsulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile
CID 2819837
4-(4-chlorophenyl)-2-(N-ethylanilino)thiophene-3-carbonitrile
CID 126539631
4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide
CID 17285013
3-(4-chlorophenyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 46193160
5-[(2S)-butan-2-yl]sulfanyl-3-(4-chlorophenyl)-4-cyanothiophene-2-carboxylate
CID 7032896
(2E)-N-[4-(4-chlorophenyl)-3-cyanothiophen-2-yl]-2-(dimethylaminomethylidene)but-3-ynamide
CID 71595439
4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile
CID 11859415
3-[4-(5-amino-4-cyanothiophen-3-yl)phenoxy]propane-1-sulfonic acid
CID 90088946
propan-2-yl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 5120735
1-[4-(4-chlorophenyl)-3-cyanothiophen-2-yl]-3-(4-pyrrolidin-1-ylbutyl)urea
CID 171783528
N-[3-[3-(4-chlorophenyl)-2-cyanophenoxy]butyl]benzenesulfonamide
CID 69329671
ethyl 5-[(2R)-butan-2-yl]sulfanyl-3-(4-chlorophenyl)-4-cyanothiophene-2-carboxylate
CID 7032892

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile (CID 6927365) is 2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile is CC[C@@H](C)S(=O)(=O)c1scc(-c2ccc(Cl)cc2)c1C#N.
What is the InChIKey of 2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile?
The InChIKey is ZNEORAWGNSFKQW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClNO2S2/c1-3-10(2)21(18,19)15-13(8-17)14(9-20-15)11-4-6-12(16)7-5-11/h4-7,9-10H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile?
2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile has a molecular weight of 339.87 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 6927365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).