1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide

C20H23N3O3S — CID 53105744

IUPAC1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide
SMILESCC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)NCc3cccnc3)cc21
InChIInChI=1S/C20H23N3O3S/c1-20(2)13-23(19(24)15-5-6-15)18-8-7-16(10-17(18)20)27(25,26)22-12-14-4-3-9-21-11-14/h3-4,7-11,15,22H,5-6,12-13H2,1-2H3
InChIKeyCGXRLASVNFITTF-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.59
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide

1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide (PubChem CID 53105744) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide
PubChem CID53105744
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide
SMILESCC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)NCc3cccnc3)cc21
InChIInChI=1S/C20H23N3O3S/c1-20(2)13-23(19(24)15-5-6-15)18-8-7-16(10-17(18)20)27(25,26)22-12-14-4-3-9-21-11-14/h3-4,7-11,15,22H,5-6,12-13H2,1-2H3
InChIKeyCGXRLASVNFITTF-UHFFFAOYSA-N
XLogP2.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105815
N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105751
1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105806
1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105579
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105742
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide
CID 53105827
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43853556
1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide
CID 56731565
N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide
CID 27195572
ethyl 1-[[1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indol-5-yl]sulfonyl]piperidine-4-carboxylate
CID 53105768

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide (CID 53105744) is 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide is CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)NCc3cccnc3)cc21.
What is the InChIKey of 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide?
The InChIKey is CGXRLASVNFITTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-20(2)13-23(19(24)15-5-6-15)18-8-7-16(10-17(18)20)27(25,26)22-12-14-4-3-9-21-11-14/h3-4,7-11,15,22H,5-6,12-13H2,1-2H3.
What are the key properties of 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide?
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).