N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide

C25H31N3O5S — CID 70848118

IUPACN-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3cc(C(=O)N4CCC(CC(C)(C)O)CC4)[nH]c23)cc1
InChIInChI=1S/C25H31N3O5S/c1-25(2,30)16-17-11-13-28(14-12-17)24(29)22-15-18-5-4-6-21(23(18)26-22)27-34(31,32)20-9-7-19(33-3)8-10-20/h4-10,15,17,26-27,30H,11-14,16H2,1-3H3
InChIKeyYYJUZFBWTOYCPA-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.99
Rot. Bonds7

About N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide

N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide (PubChem CID 70848118) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide
PubChem CID70848118
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3cc(C(=O)N4CCC(CC(C)(C)O)CC4)[nH]c23)cc1
InChIInChI=1S/C25H31N3O5S/c1-25(2,30)16-17-11-13-28(14-12-17)24(29)22-15-18-5-4-6-21(23(18)26-22)27-34(31,32)20-9-7-19(33-3)8-10-20/h4-10,15,17,26-27,30H,11-14,16H2,1-3H3
InChIKeyYYJUZFBWTOYCPA-UHFFFAOYSA-N
XLogP3.99
TPSA111.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide 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

3-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 70848758
(4,6-dimethoxy-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848115
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanone
CID 46909814
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119484526
4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 119374457
(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36620781
(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848386
ethyl 4-[2-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 17311460
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55843878
N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 3456626

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide (CID 70848118) is N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3cc(C(=O)N4CCC(CC(C)(C)O)CC4)[nH]c23)cc1.
What is the InChIKey of N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide?
The InChIKey is YYJUZFBWTOYCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-25(2,30)16-17-11-13-28(14-12-17)24(29)22-15-18-5-4-6-21(23(18)26-22)27-34(31,32)20-9-7-19(33-3)8-10-20/h4-10,15,17,26-27,30H,11-14,16H2,1-3H3.
What are the key properties of N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide?
N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide has a molecular weight of 485.61 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 70848118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).