4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide

C22H24ClN3O4S — CID 42003293

IUPAC4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C22H24ClN3O4S/c1-15-14-26(10-11-30-15)22(27)21(12-16-13-24-20-5-3-2-4-19(16)20)25-31(28,29)18-8-6-17(23)7-9-18/h2-9,13,15,21,24-25H,10-12,14H2,1H3/t15-,21-/m0/s1
InChIKeyJOJCBVQCCDZZIN-BTYIYWSLSA-N
MW461.97 g/mol
LogP2.96
Rot. Bonds6

About 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide

4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 42003293) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID42003293
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC Name4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C22H24ClN3O4S/c1-15-14-26(10-11-30-15)22(27)21(12-16-13-24-20-5-3-2-4-19(16)20)25-31(28,29)18-8-6-17(23)7-9-18/h2-9,13,15,21,24-25H,10-12,14H2,1H3/t15-,21-/m0/s1
InChIKeyJOJCBVQCCDZZIN-BTYIYWSLSA-N
XLogP2.96
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(1H-indol-3-yl)-1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 42889070
N-[(2R)-1-[(4aR,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 7001749
[1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea
CID 17433076
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
2-[(2S)-4-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 125120058
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid
CID 2109238
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide
CID 110286518
N-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 39878211
N-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 39878210
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 983564
3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 5144045
N-[(4-carbamimidoylmorpholin-2-yl)methyl]-3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 19081080

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide (CID 42003293) is 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide is C[C@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(Cl)cc2)CCO1.
What is the InChIKey of 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is JOJCBVQCCDZZIN-BTYIYWSLSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-15-14-26(10-11-30-15)22(27)21(12-16-13-24-20-5-3-2-4-19(16)20)25-31(28,29)18-8-6-17(23)7-9-18/h2-9,13,15,21,24-25H,10-12,14H2,1H3/t15-,21-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide?
4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 461.97 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 42003293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).