N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide

C21H26ClN5O3S — CID 66988688

IUPACN-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide
SMILESCC1CCN(C(=O)C(CCn2nccc2Cl)NS(=O)(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C21H26ClN5O3S/c1-15-6-11-26(12-7-15)21(28)18(8-13-27-20(22)5-10-24-27)25-31(29,30)17-3-2-16-4-9-23-19(16)14-17/h2-5,9-10,14-15,18,23,25H,6-8,11-13H2,1H3
InChIKeyUHVSJKIYPUESAS-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.01
Rot. Bonds7

About N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide

N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide (PubChem CID 66988688) has the molecular formula C21H26ClN5O3S and a molecular weight of 463.99 g/mol. Its IUPAC name is N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide
PubChem CID66988688
Molecular FormulaC21H26ClN5O3S
Molecular Weight463.99 g/mol
Exact Mass463.14
IUPAC NameN-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide
SMILESCC1CCN(C(=O)C(CCn2nccc2Cl)NS(=O)(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C21H26ClN5O3S/c1-15-6-11-26(12-7-15)21(28)18(8-13-27-20(22)5-10-24-27)25-31(29,30)17-3-2-16-4-9-23-19(16)14-17/h2-5,9-10,14-15,18,23,25H,6-8,11-13H2,1H3
InChIKeyUHVSJKIYPUESAS-UHFFFAOYSA-N
XLogP3.01
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[4-(5-aminopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3,5-dichlorobenzenesulfonamide
CID 89143030
N-[4-(5-bromopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509204
N-[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-cyanopyrrol-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide
CID 66897630
N-[1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-4-(2-cyanopyrrol-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide
CID 66897631
4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide
CID 134147604
N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22576560
4-amino-N-[4-amino-4-(1H-imidazol-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3,5-dichlorobenzenesulfonamide
CID 67764391
4-amino-3,5-dichloro-N-[(2S)-1-(4-methylpiperidin-1-yl)-4-(2-nitroimidazol-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 134138379
4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-4-(2-nitroimidazol-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509350
4-amino-3,5-dichloro-N-[4-[2-(hydroxyamino)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 89142938
2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509135
N-[4-(3-aminopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 70963904

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide?
The IUPAC name of N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide (CID 66988688) is N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide?
The canonical SMILES for N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide is CC1CCN(C(=O)C(CCn2nccc2Cl)NS(=O)(=O)c2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide?
The InChIKey is UHVSJKIYPUESAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O3S/c1-15-6-11-26(12-7-15)21(28)18(8-13-27-20(22)5-10-24-27)25-31(29,30)17-3-2-16-4-9-23-19(16)14-17/h2-5,9-10,14-15,18,23,25H,6-8,11-13H2,1H3.
What are the key properties of N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide?
N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide has a molecular weight of 463.99 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide is sourced from PubChem (CID 66988688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).