N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide

C29H32N4O3S — CID 135696693

IUPACN-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide
SMILESCC1CCN(Cc2ccc(/N=C(\c3ccccc3)c3c(O)[nH]c4ccc(NS(C)(=O)=O)cc34)cc2)CC1
InChIInChI=1S/C29H32N4O3S/c1-20-14-16-33(17-15-20)19-21-8-10-23(11-9-21)30-28(22-6-4-3-5-7-22)27-25-18-24(32-37(2,35)36)12-13-26(25)31-29(27)34/h3-13,18,20,31-32,34H,14-17,19H2,1-2H3/b30-28+
InChIKeyZMCJLSJEHKIRBN-SJCQXOIGSA-N
MW516.67 g/mol
LogP5.65
Rot. Bonds7

About N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide

N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide (PubChem CID 135696693) has the molecular formula C29H32N4O3S and a molecular weight of 516.67 g/mol. Its IUPAC name is N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide
PubChem CID135696693
Molecular FormulaC29H32N4O3S
Molecular Weight516.67 g/mol
Exact Mass516.22
IUPAC NameN-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide
SMILESCC1CCN(Cc2ccc(/N=C(\c3ccccc3)c3c(O)[nH]c4ccc(NS(C)(=O)=O)cc34)cc2)CC1
InChIInChI=1S/C29H32N4O3S/c1-20-14-16-33(17-15-20)19-21-8-10-23(11-9-21)30-28(22-6-4-3-5-7-22)27-25-18-24(32-37(2,35)36)12-13-26(25)31-29(27)34/h3-13,18,20,31-32,34H,14-17,19H2,1-2H3/b30-28+
InChIKeyZMCJLSJEHKIRBN-SJCQXOIGSA-N
XLogP5.65
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide?
The IUPAC name of N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide (CID 135696693) is N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide is CC1CCN(Cc2ccc(/N=C(\c3ccccc3)c3c(O)[nH]c4ccc(NS(C)(=O)=O)cc34)cc2)CC1.
What is the InChIKey of N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide?
The InChIKey is ZMCJLSJEHKIRBN-SJCQXOIGSA-N. The full InChI is InChI=1S/C29H32N4O3S/c1-20-14-16-33(17-15-20)19-21-8-10-23(11-9-21)30-28(22-6-4-3-5-7-22)27-25-18-24(32-37(2,35)36)12-13-26(25)31-29(27)34/h3-13,18,20,31-32,34H,14-17,19H2,1-2H3/b30-28+.
What are the key properties of N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide?
N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide has a molecular weight of 516.67 g/mol, XLogP of 5.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide is sourced from PubChem (CID 135696693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).