1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole

C12H7ClN4O2S — CID 130206178

IUPAC1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole
SMILESO=S(=O)=Nc1cn(-c2ccnc(Cl)n2)c2ccccc12
InChIInChI=1S/C12H7ClN4O2S/c13-12-14-6-5-11(15-12)17-7-9(16-20(18)19)8-3-1-2-4-10(8)17/h1-7H
InChIKeyAGBPGUIHNGWVMN-UHFFFAOYSA-N
MW306.73 g/mol
LogP2.77
Rot. Bonds2

About 1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole

1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole (PubChem CID 130206178) has the molecular formula C12H7ClN4O2S and a molecular weight of 306.73 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole
PubChem CID130206178
Molecular FormulaC12H7ClN4O2S
Molecular Weight306.73 g/mol
Exact Mass306.00
IUPAC Name1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole
SMILESO=S(=O)=Nc1cn(-c2ccnc(Cl)n2)c2ccccc12
InChIInChI=1S/C12H7ClN4O2S/c13-12-14-6-5-11(15-12)17-7-9(16-20(18)19)8-3-1-2-4-10(8)17/h1-7H
InChIKeyAGBPGUIHNGWVMN-UHFFFAOYSA-N
XLogP2.77
TPSA77.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(2-chloropyrimidin-4-yl)indol-3-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 175148151
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CID 22288415
1-(2-chloropyrimidin-4-yl)indazole
CID 62343876
1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole
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1-(2-chloropyrimidin-4-yl)pyrazolo[4,3-b]pyridin-3-amine
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1-(2-chloro-5-methylpyrimidin-4-yl)indole-3-sulfonic acid
CID 170992963
3-(2-chloropyrimidin-4-yl)-1H-benzimidazol-2-one;1-(2-chloropyrimidin-4-yl)-3-methylbenzimidazol-2-one;deuterio(fluoro)methane
CID 159051783
3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one
CID 89489710
4-bromo-1-(2-methylsulfinylpyrimidin-4-yl)indole
CID 67434315
4-(2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 62968346
1-pyrazin-2-ylindole-3-carboxylic acid
CID 90031352
2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole
CID 155675906

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole (CID 130206178) is 1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole is O=S(=O)=Nc1cn(-c2ccnc(Cl)n2)c2ccccc12.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole?
The InChIKey is AGBPGUIHNGWVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O2S/c13-12-14-6-5-11(15-12)17-7-9(16-20(18)19)8-3-1-2-4-10(8)17/h1-7H.
What are the key properties of 1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole?
1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole has a molecular weight of 306.73 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)-3-(sulfonylamino)indole is sourced from PubChem (CID 130206178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).