4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide

C23H17Cl4FN2O2S2 — CID 162662394

IUPAC4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide
SMILESCc1cn(Cc2ccc(Cl)cc2Cl)c2c(/C=C/CNS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
InChIInChI=1S/C23H17Cl4FN2O2S2/c1-13-11-30(12-15-4-5-16(24)8-19(15)25)22-14(7-17(28)9-18(13)22)3-2-6-29-34(31,32)21-10-20(26)23(27)33-21/h2-5,7-11,29H,6,12H2,1H3/b3-2+
InChIKeyDXIIWNGLFVWXHC-NSCUHMNNSA-N
MW578.35 g/mol
LogP7.80
Rot. Bonds7

About 4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide

4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide (PubChem CID 162662394) has the molecular formula C23H17Cl4FN2O2S2 and a molecular weight of 578.35 g/mol. Its IUPAC name is 4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide
PubChem CID162662394
Molecular FormulaC23H17Cl4FN2O2S2
Molecular Weight578.35 g/mol
Exact Mass575.95
IUPAC Name4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide
SMILESCc1cn(Cc2ccc(Cl)cc2Cl)c2c(/C=C/CNS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
InChIInChI=1S/C23H17Cl4FN2O2S2/c1-13-11-30(12-15-4-5-16(24)8-19(15)25)22-14(7-17(28)9-18(13)22)3-2-6-29-34(31,32)21-10-20(26)23(27)33-21/h2-5,7-11,29H,6,12H2,1H3/b3-2+
InChIKeyDXIIWNGLFVWXHC-NSCUHMNNSA-N
XLogP7.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.35
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide (CID 162662394) is 4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide is Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(/C=C/CNS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12.
What is the InChIKey of 4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide?
The InChIKey is DXIIWNGLFVWXHC-NSCUHMNNSA-N. The full InChI is InChI=1S/C23H17Cl4FN2O2S2/c1-13-11-30(12-15-4-5-16(24)8-19(15)25)22-14(7-17(28)9-18(13)22)3-2-6-29-34(31,32)21-10-20(26)23(27)33-21/h2-5,7-11,29H,6,12H2,1H3/b3-2+.
What are the key properties of 4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide?
4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide has a molecular weight of 578.35 g/mol, XLogP of 7.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enyl]thiophene-2-sulfonamide is sourced from PubChem (CID 162662394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).