N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide

C24H28N4O4S — CID 88882747

IUPACN-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
SMILESCC1CCN(C(=O)C(CCc2cccc(N=O)c2)NS(=O)(=O)c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C24H28N4O4S/c1-17-11-14-28(15-12-17)24(29)22(9-8-18-4-2-5-19(16-18)26-30)27-33(31,32)23-7-3-6-21-20(23)10-13-25-21/h2-7,10,13,16-17,22,25,27H,8-9,11-12,14-15H2,1H3
InChIKeyCJOCZXACSLEEBU-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.10
Rot. Bonds8

About N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide

N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide (PubChem CID 88882747) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
PubChem CID88882747
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
SMILESCC1CCN(C(=O)C(CCc2cccc(N=O)c2)NS(=O)(=O)c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C24H28N4O4S/c1-17-11-14-28(15-12-17)24(29)22(9-8-18-4-2-5-19(16-18)26-30)27-33(31,32)23-7-3-6-21-20(23)10-13-25-21/h2-7,10,13,16-17,22,25,27H,8-9,11-12,14-15H2,1H3
InChIKeyCJOCZXACSLEEBU-UHFFFAOYSA-N
XLogP4.10
TPSA111.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide
CID 58504905
N-[4-(3-aminopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 70963904
N-[4-(5-bromopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509204
N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 66997380
1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid
CID 123914930
N-[4-(2-cyanopyrrol-1-yl)-1-(4-fluoropiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509283
N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide
CID 58504910
4-[1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-3-yl]butanoic acid
CID 58504857
N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1-benzothiophene-3-sulfonamide
CID 58504935
2-[1-[4-(2-aminopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-3-yl]acetic acid
CID 70963678
N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58504881
N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 143877618

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
The IUPAC name of N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide (CID 88882747) is N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide.
What is the SMILES notation for N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
The canonical SMILES for N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide is CC1CCN(C(=O)C(CCc2cccc(N=O)c2)NS(=O)(=O)c2cccc3[nH]ccc23)CC1.
What is the InChIKey of N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
The InChIKey is CJOCZXACSLEEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17-11-14-28(15-12-17)24(29)22(9-8-18-4-2-5-19(16-18)26-30)27-33(31,32)23-7-3-6-21-20(23)10-13-25-21/h2-7,10,13,16-17,22,25,27H,8-9,11-12,14-15H2,1H3.
What are the key properties of N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide has a molecular weight of 468.58 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide is sourced from PubChem (CID 88882747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).