6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride

C10H6Cl2N4O2S — CID 170742696

IUPAC6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2c(-n3cnnc3)c(Cl)ccc12
InChIInChI=1S/C10H6Cl2N4O2S/c11-7-2-1-6-8(19(12,17)18)3-13-9(6)10(7)16-4-14-15-5-16/h1-5,13H
InChIKeyUDSZGDMQUARNIV-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.33
Rot. Bonds2

About 6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride

6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride (PubChem CID 170742696) has the molecular formula C10H6Cl2N4O2S and a molecular weight of 317.16 g/mol. Its IUPAC name is 6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride
PubChem CID170742696
Molecular FormulaC10H6Cl2N4O2S
Molecular Weight317.16 g/mol
Exact Mass315.96
IUPAC Name6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2c(-n3cnnc3)c(Cl)ccc12
InChIInChI=1S/C10H6Cl2N4O2S/c11-7-2-1-6-8(19(12,17)18)3-13-9(6)10(7)16-4-14-15-5-16/h1-5,13H
InChIKeyUDSZGDMQUARNIV-UHFFFAOYSA-N
XLogP2.33
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride
CID 91619175
4,7-dichloro-1H-indole-3-sulfonyl chloride
CID 82374063
6,7-dichloro-1H-indole;6,7-dichloro-1H-indole-3-sulfonyl chloride;sulfurochloridic acid
CID 158258905
6-chloro-7-(3-methyl-2-pyridinyl)-1H-indole-3-sulfonyl chloride
CID 170742564
7,8-dichloro-1-oxo-2H-isoquinoline-4-sulfonyl chloride
CID 170733590
7-bromo-6-chloro-1H-indole-3-sulfonic acid
CID 170985985
6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride
CID 170742571
7-pyrazin-2-yl-1H-indole-3-sulfonyl chloride
CID 170742496
4,5-dichloro-1H-indole-3-sulfonyl chloride
CID 82374073
1-oxo-2H-isoquinoline-4-sulfonyl chloride
CID 86598072
1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride
CID 83821681
6-bromo-1-oxo-2H-isoquinoline-4-sulfonyl chloride
CID 57439900

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride?
The IUPAC name of 6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride (CID 170742696) is 6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride is O=S(=O)(Cl)c1c[nH]c2c(-n3cnnc3)c(Cl)ccc12.
What is the InChIKey of 6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride?
The InChIKey is UDSZGDMQUARNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O2S/c11-7-2-1-6-8(19(12,17)18)3-13-9(6)10(7)16-4-14-15-5-16/h1-5,13H.
What are the key properties of 6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride?
6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride has a molecular weight of 317.16 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 170742696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).