N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide

C11H11BrCl2N2O2S — CID 170426785

IUPACN-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1ccc2c(Br)cc(Cl)c(Cl)c21
InChIInChI=1S/C11H11BrCl2N2O2S/c1-19(17,18)15-3-5-16-4-2-7-8(12)6-9(13)10(14)11(7)16/h2,4,6,15H,3,5H2,1H3
InChIKeyPAPBIIQFICRCPX-UHFFFAOYSA-N
MW386.10 g/mol
LogP3.26
Rot. Bonds4

About N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide

N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide (PubChem CID 170426785) has the molecular formula C11H11BrCl2N2O2S and a molecular weight of 386.10 g/mol. Its IUPAC name is N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide
PubChem CID170426785
Molecular FormulaC11H11BrCl2N2O2S
Molecular Weight386.10 g/mol
Exact Mass383.91
IUPAC NameN-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1ccc2c(Br)cc(Cl)c(Cl)c21
InChIInChI=1S/C11H11BrCl2N2O2S/c1-19(17,18)15-3-5-16-4-2-7-8(12)6-9(13)10(14)11(7)16/h2,4,6,15H,3,5H2,1H3
InChIKeyPAPBIIQFICRCPX-UHFFFAOYSA-N
XLogP3.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.10
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide
CID 66697903
4-Bromo-6,7-dichloro-1H-indole
CID 169197373
tert-butyl N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]carbamate
CID 170426500
(3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine
CID 170426528
9-Bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
CID 170426777
9-Bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 170426778
(NE)-N-[[1-(benzenesulfonyl)-4-bromo-6,7-dichloroindol-2-yl]methylidene]hydroxylamine
CID 170426798
2-(4-Bromo-6,7-dichloroindol-1-yl)ethylcarbamic acid
CID 170426830
1-Bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
CID 170426841
1-(Benzenesulfonyl)-4-bromo-6,7-dichloroindole
CID 170426849
1-Bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine
CID 170426876
4-Bromo-6,7-dichloro-3-iodo-1-(4-methylphenyl)sulfonylindole
CID 170426987

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide (CID 170426785) is N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCn1ccc2c(Br)cc(Cl)c(Cl)c21.
What is the InChIKey of N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide?
The InChIKey is PAPBIIQFICRCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2N2O2S/c1-19(17,18)15-3-5-16-4-2-7-8(12)6-9(13)10(14)11(7)16/h2,4,6,15H,3,5H2,1H3.
What are the key properties of N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide?
N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide has a molecular weight of 386.10 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 170426785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).