4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C22H26ClN3O3S — CID 2095574

IUPAC4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C22H26ClN3O3S/c1-24-12-10-18(11-13-24)25(2)22(27)17-7-8-19(23)21(15-17)30(28,29)26-14-9-16-5-3-4-6-20(16)26/h3-8,15,18H,9-14H2,1-2H3
InChIKeyUWKVOFDZCPFIKZ-UHFFFAOYSA-N
MW447.99 g/mol
LogP3.26
Rot. Bonds4

About 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 2095574) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID2095574
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C22H26ClN3O3S/c1-24-12-10-18(11-13-24)25(2)22(27)17-7-8-19(23)21(15-17)30(28,29)26-14-9-16-5-3-4-6-20(16)26/h3-8,15,18H,9-14H2,1-2H3
InChIKeyUWKVOFDZCPFIKZ-UHFFFAOYSA-N
XLogP3.26
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 2095574) is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1.
What is the InChIKey of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is UWKVOFDZCPFIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3S/c1-24-12-10-18(11-13-24)25(2)22(27)17-7-8-19(23)21(15-17)30(28,29)26-14-9-16-5-3-4-6-20(16)26/h3-8,15,18H,9-14H2,1-2H3.
What are the key properties of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 447.99 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 2095574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).