N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C24H22ClN3O4S — CID 38202745

IUPACN-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1
InChIInChI=1S/C24H22ClN3O4S/c25-20-11-10-19(24(30)27-14-13-26-23(29)18-7-2-1-3-8-18)16-22(20)33(31,32)28-15-12-17-6-4-5-9-21(17)28/h1-11,16H,12-15H2,(H,26,29)(H,27,30)
InChIKeyGJJPWNGFQQUTKS-UHFFFAOYSA-N
MW483.98 g/mol
LogP3.25
Rot. Bonds7

About N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 38202745) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID38202745
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC NameN-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1
InChIInChI=1S/C24H22ClN3O4S/c25-20-11-10-19(24(30)27-14-13-26-23(29)18-7-2-1-3-8-18)16-22(20)33(31,32)28-15-12-17-6-4-5-9-21(17)28/h1-11,16H,12-15H2,(H,26,29)(H,27,30)
InChIKeyGJJPWNGFQQUTKS-UHFFFAOYSA-N
XLogP3.25
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 55335884
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 2083506
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 2541060
4-chloro-N-[4-(diethylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4591412
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 55837192
methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate
CID 55571417
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propoxyphenyl)benzamide
CID 26898070
propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 24530655
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55646957
N-[1-(1-adamantyl)ethyl]-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4287223
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methyl-3-nitrophenyl)benzamide
CID 26575248

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 38202745) is N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is O=C(NCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is GJJPWNGFQQUTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c25-20-11-10-19(24(30)27-14-13-26-23(29)18-7-2-1-3-8-18)16-22(20)33(31,32)28-15-12-17-6-4-5-9-21(17)28/h1-11,16H,12-15H2,(H,26,29)(H,27,30).
What are the key properties of N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 483.98 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 38202745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).