N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide

C24H23BrN2O3S — CID 46504909

IUPACN-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide
SMILESCCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C24H23BrN2O3S/c1-2-23(28)27-14-13-19-15-20(25)22(16-21(19)27)31(29,30)26-24(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,24,26H,2,13-14H2,1H3
InChIKeyNLTLQOAEUGTARA-UHFFFAOYSA-N
MW499.43 g/mol
LogP4.82
Rot. Bonds6

About N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide

N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 46504909) has the molecular formula C24H23BrN2O3S and a molecular weight of 499.43 g/mol. Its IUPAC name is N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound NameN-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide
PubChem CID46504909
Molecular FormulaC24H23BrN2O3S
Molecular Weight499.43 g/mol
Exact Mass498.06
IUPAC NameN-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide
SMILESCCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C24H23BrN2O3S/c1-2-23(28)27-14-13-19-15-20(25)22(16-21(19)27)31(29,30)26-24(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,24,26H,2,13-14H2,1H3
InChIKeyNLTLQOAEUGTARA-UHFFFAOYSA-N
XLogP4.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-bromo-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide
CID 46504855
ethyl 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonylamino]benzoate
CID 46504892
methyl (2S)-2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]-3-phenylpropanoate
CID 118906193
1-[5-bromo-6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 46504811
5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide
CID 46504823
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 46247217
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(N-ethylanilino)ethyl]propanamide
CID 46374671
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide
CID 46506114
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide
CID 46506133
4-methyl-N-(1-phenylethyl)-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856615
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 46247317

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide (CID 46504909) is N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide is CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is NLTLQOAEUGTARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3S/c1-2-23(28)27-14-13-19-15-20(25)22(16-21(19)27)31(29,30)26-24(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,24,26H,2,13-14H2,1H3.
What are the key properties of N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide?
N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 499.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 46504909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).