4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C21H22ClN3O3S — CID 3565349

IUPAC4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H22ClN3O3S/c22-18-8-7-15(13-20(18)29(27,28)25-11-3-4-12-25)21(26)23-10-9-16-14-24-19-6-2-1-5-17(16)19/h1-2,5-8,13-14,24H,3-4,9-12H2,(H,23,26)
InChIKeyIPGLGBLDPZFALY-UHFFFAOYSA-N
MW431.95 g/mol
LogP3.58
Rot. Bonds6

About 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 3565349) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID3565349
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H22ClN3O3S/c22-18-8-7-15(13-20(18)29(27,28)25-11-3-4-12-25)21(26)23-10-9-16-14-24-19-6-2-1-5-17(16)19/h1-2,5-8,13-14,24H,3-4,9-12H2,(H,23,26)
InChIKeyIPGLGBLDPZFALY-UHFFFAOYSA-N
XLogP3.58
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Oxsi-2
CID 6419747
(4-chlorophenyl)-[1-[2-[(2R)-1-(1H-indol-6-ylsulfonyl)pyrrolidin-2-yl]ethyl]piperidin-4-yl]methanone
CID 44340835
N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 4782931
(3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indole-5-sulfonamide
CID 23647623
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CID 11070595
(R)-4-Chloro-N-[1-dipentylcarbamoyl-2-(1H-indol-3-yl)-ethyl]-benzamide
CID 15104597
2,3-Dihydro-3-(1H-indol-3-ylmethylene)-2-oxo-1H-indole-5-sulfonamide
CID 22978714
(3Z)-3-[[3-[3-(dimethylamino)propyl]-1H-indol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 44299194
3-chloro-N-[(1R,2S)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 44432529
cis-3-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)phenylsulfonamido)cyclohexyl)-1H-indole-6-carboxamide
CID 44432574
4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 744384
Benzamide, p-chloro-N-(1-(2-indol-3-ylethyl)-4-piperidyl)-
CID 213620

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 3565349) is 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is IPGLGBLDPZFALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c22-18-8-7-15(13-20(18)29(27,28)25-11-3-4-12-25)21(26)23-10-9-16-14-24-19-6-2-1-5-17(16)19/h1-2,5-8,13-14,24H,3-4,9-12H2,(H,23,26).
What are the key properties of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 431.95 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3565349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).