N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide

C26H29N3O2S — CID 11201712

IUPACN-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide
SMILESCCN(CC)CCn1ccc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C26H29N3O2S/c1-3-28(4-2)18-19-29-17-16-23-20-24(12-15-26(23)29)27-32(30,31)25-13-10-22(11-14-25)21-8-6-5-7-9-21/h5-17,20,27H,3-4,18-19H2,1-2H3
InChIKeyIHTCWFQJHVITAM-UHFFFAOYSA-N
MW447.60 g/mol
LogP5.45
Rot. Bonds9

About N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide

N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide (PubChem CID 11201712) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide
PubChem CID11201712
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide
SMILESCCN(CC)CCn1ccc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C26H29N3O2S/c1-3-28(4-2)18-19-29-17-16-23-20-24(12-15-26(23)29)27-32(30,31)25-13-10-22(11-14-25)21-8-6-5-7-9-21/h5-17,20,27H,3-4,18-19H2,1-2H3
InChIKeyIHTCWFQJHVITAM-UHFFFAOYSA-N
XLogP5.45
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(diethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide
CID 11270131
N-[1-[2-(diethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide
CID 11177658
4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide
CID 25184428
4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide
CID 11676162
1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide
CID 126776307
N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide
CID 11166043
2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid
CID 159273501
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide
CID 11176859
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-phenylbenzenesulfonamide
CID 40889470
(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634846
N-[2-(5-bromoindol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 62562872
N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
CID 3679423

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide (CID 11201712) is N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide is CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide?
The InChIKey is IHTCWFQJHVITAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-3-28(4-2)18-19-29-17-16-23-20-24(12-15-26(23)29)27-32(30,31)25-13-10-22(11-14-25)21-8-6-5-7-9-21/h5-17,20,27H,3-4,18-19H2,1-2H3.
What are the key properties of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide?
N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide has a molecular weight of 447.60 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 11201712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).