5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide

C13H12Cl2N4O2S — CID 167920553

IUPAC5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1c[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C13H12Cl2N4O2S/c1-6-13(7(2)18-17-6)19-22(20,21)12-5-16-11-4-10(15)9(14)3-8(11)12/h3-5,16,19H,1-2H3,(H,17,18)
InChIKeyWLQOHWSIEABSES-UHFFFAOYSA-N
MW359.24 g/mol
LogP3.62
Rot. Bonds3

About 5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide

5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide (PubChem CID 167920553) has the molecular formula C13H12Cl2N4O2S and a molecular weight of 359.24 g/mol. Its IUPAC name is 5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
PubChem CID167920553
Molecular FormulaC13H12Cl2N4O2S
Molecular Weight359.24 g/mol
Exact Mass358.01
IUPAC Name5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1c[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C13H12Cl2N4O2S/c1-6-13(7(2)18-17-6)19-22(20,21)12-5-16-11-4-10(15)9(14)3-8(11)12/h3-5,16,19H,1-2H3,(H,17,18)
InChIKeyWLQOHWSIEABSES-UHFFFAOYSA-N
XLogP3.62
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide (CID 167920553) is 5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1c[nH]c2cc(Cl)c(Cl)cc12.
What is the InChIKey of 5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide?
The InChIKey is WLQOHWSIEABSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2S/c1-6-13(7(2)18-17-6)19-22(20,21)12-5-16-11-4-10(15)9(14)3-8(11)12/h3-5,16,19H,1-2H3,(H,17,18).
What are the key properties of 5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide?
5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide has a molecular weight of 359.24 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 167920553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).