2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide

C17H16Cl2N2O2S — CID 10091351

IUPAC2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2N2O2S/c1-11(9-12-10-20-16-8-3-2-5-13(12)16)21-24(22,23)17-14(18)6-4-7-15(17)19/h2-8,10-11,20-21H,9H2,1H3
InChIKeyHQGRCFOENHIIQG-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.38
Rot. Bonds5

About 2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide

2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 10091351) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
PubChem CID10091351
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC Name2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2N2O2S/c1-11(9-12-10-20-16-8-3-2-5-13(12)16)21-24(22,23)17-14(18)6-4-7-15(17)19/h2-8,10-11,20-21H,9H2,1H3
InChIKeyHQGRCFOENHIIQG-UHFFFAOYSA-N
XLogP4.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indisulam
CID 216468
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
5-Chloro-N-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-2-naphthalenesulfonamide
CID 6918836
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
n1-(4-Aminobenzenesulfonyl)skatole
CID 10356663
N-{2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 11677372
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 10091351) is 2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is HQGRCFOENHIIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-11(9-12-10-20-16-8-3-2-5-13(12)16)21-24(22,23)17-14(18)6-4-7-15(17)19/h2-8,10-11,20-21H,9H2,1H3.
What are the key properties of 2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 383.30 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 10091351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).