N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide

C28H36N4O3S — CID 90096762

IUPACN-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
SMILESCC1CN(C)CCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3cc(-c4ccccc4)n(C)c3c2)CC1
InChIInChI=1S/C28H36N4O3S/c1-20-19-30(2)15-16-32(20)28(33)22-9-12-24(13-10-22)29-36(34,35)25-14-11-23-17-26(31(3)27(23)18-25)21-7-5-4-6-8-21/h4-8,11,14,17-18,20,22,24,29H,9-10,12-13,15-16,19H2,1-3H3
InChIKeyHUQHVHCIEAMGBE-UHFFFAOYSA-N
MW508.69 g/mol
LogP3.84
Rot. Bonds5

About N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide

N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide (PubChem CID 90096762) has the molecular formula C28H36N4O3S and a molecular weight of 508.69 g/mol. Its IUPAC name is N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
PubChem CID90096762
Molecular FormulaC28H36N4O3S
Molecular Weight508.69 g/mol
Exact Mass508.25
IUPAC NameN-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
SMILESCC1CN(C)CCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3cc(-c4ccccc4)n(C)c3c2)CC1
InChIInChI=1S/C28H36N4O3S/c1-20-19-30(2)15-16-32(20)28(33)22-9-12-24(13-10-22)29-36(34,35)25-14-11-23-17-26(31(3)27(23)18-25)21-7-5-4-6-8-21/h4-8,11,14,17-18,20,22,24,29H,9-10,12-13,15-16,19H2,1-3H3
InChIKeyHUQHVHCIEAMGBE-UHFFFAOYSA-N
XLogP3.84
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096466
N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096545
2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide
CID 90096575
3-[4-[1-methyl-6-[[4-(piperidine-1-carbonyl)cyclohexyl]sulfamoyl]indol-2-yl]phenyl]propanoic acid
CID 90096482
2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 67208084
3-[4-[6-[[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]cyclohexyl]sulfamoyl]-1-methylindol-2-yl]phenyl]propanoic acid
CID 90096418
3-[4-[1-methyl-6-[[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]sulfamoyl]indol-2-yl]phenyl]propanoic acid
CID 66710234
ethyl 1-[4-[[2-[4-(methoxymethyl)phenyl]-1-methylindol-6-yl]sulfonylamino]cyclohexanecarbonyl]piperidine-2-carboxylate
CID 90096616
4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 58074416
2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 58074376
1-[(1S)-2-hydroxy-1-phenylethyl]-4-[(1-methyl-2-phenylindol-6-yl)sulfonylamino]cyclohexane-1-carboxamide
CID 140638169
3-[4-[6-[[4-[ethyl(methyl)carbamoyl]cyclohexyl]sulfamoyl]-1-methylindol-2-yl]phenyl]propanoic acid
CID 90096549

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide?
The IUPAC name of N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide (CID 90096762) is N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide.
What is the SMILES notation for N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide?
The canonical SMILES for N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide is CC1CN(C)CCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3cc(-c4ccccc4)n(C)c3c2)CC1.
What is the InChIKey of N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide?
The InChIKey is HUQHVHCIEAMGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3S/c1-20-19-30(2)15-16-32(20)28(33)22-9-12-24(13-10-22)29-36(34,35)25-14-11-23-17-26(31(3)27(23)18-25)21-7-5-4-6-8-21/h4-8,11,14,17-18,20,22,24,29H,9-10,12-13,15-16,19H2,1-3H3.
What are the key properties of N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide?
N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide has a molecular weight of 508.69 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide is sourced from PubChem (CID 90096762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).