4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide

C26H32ClN3O2S — CID 59646702

IUPAC4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1cc2c(CN3CCC(N(C4CC4)S(=O)(=O)c4ccc(Cl)cc4)CC3)cccc2[nH]1
InChIInChI=1S/C26H32ClN3O2S/c1-18(2)26-16-24-19(4-3-5-25(24)28-26)17-29-14-12-22(13-15-29)30(21-8-9-21)33(31,32)23-10-6-20(27)7-11-23/h3-7,10-11,16,18,21-22,28H,8-9,12-15,17H2,1-2H3
InChIKeyHKTKVOIUYFUQER-UHFFFAOYSA-N
MW486.08 g/mol
LogP5.76
Rot. Bonds7

About 4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide

4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 59646702) has the molecular formula C26H32ClN3O2S and a molecular weight of 486.08 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID59646702
Molecular FormulaC26H32ClN3O2S
Molecular Weight486.08 g/mol
Exact Mass485.19
IUPAC Name4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1cc2c(CN3CCC(N(C4CC4)S(=O)(=O)c4ccc(Cl)cc4)CC3)cccc2[nH]1
InChIInChI=1S/C26H32ClN3O2S/c1-18(2)26-16-24-19(4-3-5-25(24)28-26)17-29-14-12-22(13-15-29)30(21-8-9-21)33(31,32)23-10-6-20(27)7-11-23/h3-7,10-11,16,18,21-22,28H,8-9,12-15,17H2,1-2H3
InChIKeyHKTKVOIUYFUQER-UHFFFAOYSA-N
XLogP5.76
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.08
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide (CID 59646702) is 4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide is CC(C)c1cc2c(CN3CCC(N(C4CC4)S(=O)(=O)c4ccc(Cl)cc4)CC3)cccc2[nH]1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is HKTKVOIUYFUQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O2S/c1-18(2)26-16-24-19(4-3-5-25(24)28-26)17-29-14-12-22(13-15-29)30(21-8-9-21)33(31,32)23-10-6-20(27)7-11-23/h3-7,10-11,16,18,21-22,28H,8-9,12-15,17H2,1-2H3.
What are the key properties of 4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide?
4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 486.08 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 59646702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).