4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide

C29H29BrCl2N2O3S — CID 46371287

IUPAC4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
SMILESO=C(C1CCC(CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C29H29BrCl2N2O3S/c30-23-12-14-24(15-13-23)38(36,37)33(19-25-26(31)5-3-6-27(25)32)18-20-8-10-22(11-9-20)29(35)34-17-16-21-4-1-2-7-28(21)34/h1-7,12-15,20,22H,8-11,16-19H2
InChIKeyJCIIDKDEAXMNLI-UHFFFAOYSA-N
MW636.44 g/mol
LogP7.34
Rot. Bonds7

About 4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide

4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide (PubChem CID 46371287) has the molecular formula C29H29BrCl2N2O3S and a molecular weight of 636.44 g/mol. Its IUPAC name is 4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
PubChem CID46371287
Molecular FormulaC29H29BrCl2N2O3S
Molecular Weight636.44 g/mol
Exact Mass634.05
IUPAC Name4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
SMILESO=C(C1CCC(CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C29H29BrCl2N2O3S/c30-23-12-14-24(15-13-23)38(36,37)33(19-25-26(31)5-3-6-27(25)32)18-20-8-10-22(11-9-20)29(35)34-17-16-21-4-1-2-7-28(21)34/h1-7,12-15,20,22H,8-11,16-19H2
InChIKeyJCIIDKDEAXMNLI-UHFFFAOYSA-N
XLogP7.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.44
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate
CID 23735038
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
CID 54594046
2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 4137819
3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4087818
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853260
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 92679158
cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone
CID 3244754
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 38147769

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide (CID 46371287) is 4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide is O=C(C1CCC(CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCc2ccccc21.
What is the InChIKey of 4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is JCIIDKDEAXMNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29BrCl2N2O3S/c30-23-12-14-24(15-13-23)38(36,37)33(19-25-26(31)5-3-6-27(25)32)18-20-8-10-22(11-9-20)29(35)34-17-16-21-4-1-2-7-28(21)34/h1-7,12-15,20,22H,8-11,16-19H2.
What are the key properties of 4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 636.44 g/mol, XLogP of 7.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 46371287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).