6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide

C16H14ClFN2O4S2 — CID 146237430

IUPAC6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1F)CCS2(O)O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H14ClFN2O4S2/c17-10-1-2-11-13(6-10)19-8-16(11)26(23,24)20-14-7-15-9(5-12(14)18)3-4-25(15,21)22/h1-2,5-8,19-22H,3-4H2
InChIKeyVFDHXBKYQOHRAW-UHFFFAOYSA-N
MW416.88 g/mol
LogP4.43
Rot. Bonds3

About 6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide

6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide (PubChem CID 146237430) has the molecular formula C16H14ClFN2O4S2 and a molecular weight of 416.88 g/mol. Its IUPAC name is 6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide
PubChem CID146237430
Molecular FormulaC16H14ClFN2O4S2
Molecular Weight416.88 g/mol
Exact Mass416.01
IUPAC Name6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1F)CCS2(O)O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H14ClFN2O4S2/c17-10-1-2-11-13(6-10)19-8-16(11)26(23,24)20-14-7-15-9(5-12(14)18)3-4-25(15,21)22/h1-2,5-8,19-22H,3-4H2
InChIKeyVFDHXBKYQOHRAW-UHFFFAOYSA-N
XLogP4.43
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.88
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide with MolForge

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
6-fluoro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201111
6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012
6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 135201156
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide
CID 142393306
6-chloro-N-[5-chloro-3-fluoro-6-(fluoromethyl)-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135191791
6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
CID 135201227
6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide
CID 135188471
6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710664
6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide
CID 167817801

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide (CID 146237430) is 6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide is O=S(=O)(Nc1cc2c(cc1F)CCS2(O)O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide?
The InChIKey is VFDHXBKYQOHRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O4S2/c17-10-1-2-11-13(6-10)19-8-16(11)26(23,24)20-14-7-15-9(5-12(14)18)3-4-25(15,21)22/h1-2,5-8,19-22H,3-4H2.
What are the key properties of 6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide?
6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide has a molecular weight of 416.88 g/mol, XLogP of 4.43, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 146237430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).