1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide

C22H25N3O4S — CID 50802027

IUPAC1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCOCC1)n2Cc1ccccc1
InChIInChI=1S/C22H25N3O4S/c1-23(2)30(27,28)19-8-9-20-18(14-19)15-21(22(26)24-10-12-29-13-11-24)25(20)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyQMUXVIAJFYOJBC-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.41
Rot. Bonds5

About 1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide

1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide (PubChem CID 50802027) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
PubChem CID50802027
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCOCC1)n2Cc1ccccc1
InChIInChI=1S/C22H25N3O4S/c1-23(2)30(27,28)19-8-9-20-18(14-19)15-21(22(26)24-10-12-29-13-11-24)25(20)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyQMUXVIAJFYOJBC-UHFFFAOYSA-N
XLogP2.41
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide
CID 50802053
1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide
CID 50801918
1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
CID 50801822
1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide
CID 50801746
1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 50802080
N-[1-benzyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-4-tert-butylbenzenesulfonamide
CID 42808775
(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101
1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide
CID 5309747
5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 50802022
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 29140119
N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide
CID 20859043

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide?
The IUPAC name of 1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide (CID 50802027) is 1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide.
What is the SMILES notation for 1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide?
The canonical SMILES for 1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCOCC1)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide?
The InChIKey is QMUXVIAJFYOJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-23(2)30(27,28)19-8-9-20-18(14-19)15-21(22(26)24-10-12-29-13-11-24)25(20)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of 1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide?
1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide is sourced from PubChem (CID 50802027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).