6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide

C15H12ClN5O2S — CID 167746508

IUPAC6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide
SMILESCc1cc2ncc(NS(=O)(=O)c3c[nH]c4cc(Cl)ccc34)cn2n1
InChIInChI=1S/C15H12ClN5O2S/c1-9-4-15-18-6-11(8-21(15)19-9)20-24(22,23)14-7-17-13-5-10(16)2-3-12(13)14/h2-8,17,20H,1H3
InChIKeyLJOPCDTWDPTIHB-UHFFFAOYSA-N
MW361.81 g/mol
LogP2.97
Rot. Bonds3

About 6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide

6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide (PubChem CID 167746508) has the molecular formula C15H12ClN5O2S and a molecular weight of 361.81 g/mol. Its IUPAC name is 6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide
PubChem CID167746508
Molecular FormulaC15H12ClN5O2S
Molecular Weight361.81 g/mol
Exact Mass361.04
IUPAC Name6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide
SMILESCc1cc2ncc(NS(=O)(=O)c3c[nH]c4cc(Cl)ccc34)cn2n1
InChIInChI=1S/C15H12ClN5O2S/c1-9-4-15-18-6-11(8-21(15)19-9)20-24(22,23)14-7-17-13-5-10(16)2-3-12(13)14/h2-8,17,20H,1H3
InChIKeyLJOPCDTWDPTIHB-UHFFFAOYSA-N
XLogP2.97
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide
CID 154848396
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
N-(5-bromopyrazin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 150603744
6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710664
6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide
CID 176710619
6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide
CID 167894761
6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135201440
N-(5-bromo-4-methoxypyrimidin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 169225707
1,3-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 167921366
6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907990
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide (CID 167746508) is 6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide is Cc1cc2ncc(NS(=O)(=O)c3c[nH]c4cc(Cl)ccc34)cn2n1.
What is the InChIKey of 6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide?
The InChIKey is LJOPCDTWDPTIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2S/c1-9-4-15-18-6-11(8-21(15)19-9)20-24(22,23)14-7-17-13-5-10(16)2-3-12(13)14/h2-8,17,20H,1H3.
What are the key properties of 6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide?
6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide has a molecular weight of 361.81 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 167746508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).