2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline

C16H14Cl2N2O2S — CID 57286679

IUPAC2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline
SMILESCc1ccc2[nH]c(C)c(S(=O)(=O)c3cc(Cl)c(N)cc3Cl)c2c1
InChIInChI=1S/C16H14Cl2N2O2S/c1-8-3-4-14-10(5-8)16(9(2)20-14)23(21,22)15-7-11(17)13(19)6-12(15)18/h3-7,20H,19H2,1-2H3
InChIKeyGBWMBUOHVXVFRP-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.51
Rot. Bonds2

About 2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline

2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline (PubChem CID 57286679) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is 2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline
PubChem CID57286679
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC Name2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline
SMILESCc1ccc2[nH]c(C)c(S(=O)(=O)c3cc(Cl)c(N)cc3Cl)c2c1
InChIInChI=1S/C16H14Cl2N2O2S/c1-8-3-4-14-10(5-8)16(9(2)20-14)23(21,22)15-7-11(17)13(19)6-12(15)18/h3-7,20H,19H2,1-2H3
InChIKeyGBWMBUOHVXVFRP-UHFFFAOYSA-N
XLogP4.51
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline?
The IUPAC name of 2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline (CID 57286679) is 2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline.
What is the SMILES notation for 2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline?
The canonical SMILES for 2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline is Cc1ccc2[nH]c(C)c(S(=O)(=O)c3cc(Cl)c(N)cc3Cl)c2c1.
What is the InChIKey of 2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline?
The InChIKey is GBWMBUOHVXVFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c1-8-3-4-14-10(5-8)16(9(2)20-14)23(21,22)15-7-11(17)13(19)6-12(15)18/h3-7,20H,19H2,1-2H3.
What are the key properties of 2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline?
2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline has a molecular weight of 369.27 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[(2,5-dimethyl-1H-indol-3-yl)sulfonyl]aniline is sourced from PubChem (CID 57286679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).