4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride

C10H9Cl2NO2S — CID 98770479

IUPAC4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride
SMILESCc1[nH]c2c(C)ccc(Cl)c2c1S(=O)(=O)Cl
InChIInChI=1S/C10H9Cl2NO2S/c1-5-3-4-7(11)8-9(5)13-6(2)10(8)16(12,14)15/h3-4,13H,1-2H3
InChIKeyVDNIBHZTTPOIHD-UHFFFAOYSA-N
MW278.16 g/mol
LogP3.37
Rot. Bonds1

About 4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride

4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride (PubChem CID 98770479) has the molecular formula C10H9Cl2NO2S and a molecular weight of 278.16 g/mol. Its IUPAC name is 4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride
PubChem CID98770479
Molecular FormulaC10H9Cl2NO2S
Molecular Weight278.16 g/mol
Exact Mass276.97
IUPAC Name4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride
SMILESCc1[nH]c2c(C)ccc(Cl)c2c1S(=O)(=O)Cl
InChIInChI=1S/C10H9Cl2NO2S/c1-5-3-4-7(11)8-9(5)13-6(2)10(8)16(12,14)15/h3-4,13H,1-2H3
InChIKeyVDNIBHZTTPOIHD-UHFFFAOYSA-N
XLogP3.37
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride?
The IUPAC name of 4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride (CID 98770479) is 4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride is Cc1[nH]c2c(C)ccc(Cl)c2c1S(=O)(=O)Cl.
What is the InChIKey of 4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride?
The InChIKey is VDNIBHZTTPOIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2S/c1-5-3-4-7(11)8-9(5)13-6(2)10(8)16(12,14)15/h3-4,13H,1-2H3.
What are the key properties of 4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride?
4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride has a molecular weight of 278.16 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 98770479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).