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

C29H26N2O3S — CID 4128008

IUPACN,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H26N2O3S/c32-29(30(21-23-9-3-1-4-10-23)22-24-11-5-2-6-12-24)26-15-17-27(18-16-26)35(33,34)31-20-19-25-13-7-8-14-28(25)31/h1-18H,19-22H2
InChIKeyQZNJGYQDMJTSNT-UHFFFAOYSA-N
MW482.61 g/mol
LogP5.28
Rot. Bonds7

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

N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 4128008) has the molecular formula C29H26N2O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID4128008
Molecular FormulaC29H26N2O3S
Molecular Weight482.61 g/mol
Exact Mass482.17
IUPAC NameN,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H26N2O3S/c32-29(30(21-23-9-3-1-4-10-23)22-24-11-5-2-6-12-24)26-15-17-27(18-16-26)35(33,34)31-20-19-25-13-7-8-14-28(25)31/h1-18H,19-22H2
InChIKeyQZNJGYQDMJTSNT-UHFFFAOYSA-N
XLogP5.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 109061427
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 58975118
[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1169483
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
1,3-bis[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-diethylurea
CID 17139329
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 17470307
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
N-benzyl-N-methyl-2,3-dihydroindole-1-sulfonamide
CID 110865657
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 4128008) is N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide is O=C(c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is QZNJGYQDMJTSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3S/c32-29(30(21-23-9-3-1-4-10-23)22-24-11-5-2-6-12-24)26-15-17-27(18-16-26)35(33,34)31-20-19-25-13-7-8-14-28(25)31/h1-18H,19-22H2.
What are the key properties of N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 482.61 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 4128008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).