4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole

C16H22ClN3O2S — CID 58724156

IUPAC4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole
SMILESCC1(N2CCN(S(=O)(=O)c3ccc4c(c3Cl)CCN4)CC2)CC1
InChIInChI=1S/C16H22ClN3O2S/c1-16(5-6-16)19-8-10-20(11-9-19)23(21,22)14-3-2-13-12(15(14)17)4-7-18-13/h2-3,18H,4-11H2,1H3
InChIKeyCWKJZLBYAIEZHG-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.17
Rot. Bonds3

About 4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole

4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole (PubChem CID 58724156) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole
PubChem CID58724156
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole
SMILESCC1(N2CCN(S(=O)(=O)c3ccc4c(c3Cl)CCN4)CC2)CC1
InChIInChI=1S/C16H22ClN3O2S/c1-16(5-6-16)19-8-10-20(11-9-19)23(21,22)14-3-2-13-12(15(14)17)4-7-18-13/h2-3,18H,4-11H2,1H3
InChIKeyCWKJZLBYAIEZHG-UHFFFAOYSA-N
XLogP2.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole?
The IUPAC name of 4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole (CID 58724156) is 4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole?
The canonical SMILES for 4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole is CC1(N2CCN(S(=O)(=O)c3ccc4c(c3Cl)CCN4)CC2)CC1.
What is the InChIKey of 4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole?
The InChIKey is CWKJZLBYAIEZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2S/c1-16(5-6-16)19-8-10-20(11-9-19)23(21,22)14-3-2-13-12(15(14)17)4-7-18-13/h2-3,18H,4-11H2,1H3.
What are the key properties of 4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole?
4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole has a molecular weight of 355.89 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 58724156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).