2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide

C17H16FN3O2S2 — CID 171650317

IUPAC2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide
SMILESCC(C)(C)c1cc2[nH]cc(S(=O)(=O)Nc3ccc(C#N)cc3F)c2s1
InChIInChI=1S/C17H16FN3O2S2/c1-17(2,3)15-7-13-16(24-15)14(9-20-13)25(22,23)21-12-5-4-10(8-19)6-11(12)18/h4-7,9,20-21H,1-3H3
InChIKeyZEPHORDBCVMJMN-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.34
Rot. Bonds3

About 2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide

2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide (PubChem CID 171650317) has the molecular formula C17H16FN3O2S2 and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide
PubChem CID171650317
Molecular FormulaC17H16FN3O2S2
Molecular Weight377.47 g/mol
Exact Mass377.07
IUPAC Name2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide
SMILESCC(C)(C)c1cc2[nH]cc(S(=O)(=O)Nc3ccc(C#N)cc3F)c2s1
InChIInChI=1S/C17H16FN3O2S2/c1-17(2,3)15-7-13-16(24-15)14(9-20-13)25(22,23)21-12-5-4-10(8-19)6-11(12)18/h4-7,9,20-21H,1-3H3
InChIKeyZEPHORDBCVMJMN-UHFFFAOYSA-N
XLogP4.34
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-(4-cyano-2-fluorophenyl)-5-fluoro-1H-pyrrole-3-sulfonamide
CID 166153238
N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 166153747
N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide
CID 142393412
5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 103099977
N-(4-cyano-2-fluorophenyl)-6-methoxy-6-methyl-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 171649847
N-(4-cyano-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrole-3-sulfonamide
CID 167206651
N-(4-ethynyl-2-fluorophenyl)-6-methoxy-1H-indole-3-sulfonamide
CID 135187062
N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide
CID 115744817
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
N-(4-cyano-2-fluorophenyl)-4-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-3-sulfonamide
CID 167206949
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide?
The IUPAC name of 2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide (CID 171650317) is 2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide.
What is the SMILES notation for 2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide?
The canonical SMILES for 2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide is CC(C)(C)c1cc2[nH]cc(S(=O)(=O)Nc3ccc(C#N)cc3F)c2s1.
What is the InChIKey of 2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide?
The InChIKey is ZEPHORDBCVMJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S2/c1-17(2,3)15-7-13-16(24-15)14(9-20-13)25(22,23)21-12-5-4-10(8-19)6-11(12)18/h4-7,9,20-21H,1-3H3.
What are the key properties of 2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide?
2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide is sourced from PubChem (CID 171650317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).