1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine

C13H13ClN2O2S2 — CID 103099496

IUPAC1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
SMILESCc1cc(S(=O)(=O)N2CCc3ccc(N)cc32)sc1Cl
InChIInChI=1S/C13H13ClN2O2S2/c1-8-6-12(19-13(8)14)20(17,18)16-5-4-9-2-3-10(15)7-11(9)16/h2-3,6-7H,4-5,15H2,1H3
InChIKeyYAKNNXPCRBUCNN-UHFFFAOYSA-N
MW328.85 g/mol
LogP3.04
Rot. Bonds2

About 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine (PubChem CID 103099496) has the molecular formula C13H13ClN2O2S2 and a molecular weight of 328.85 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
PubChem CID103099496
Molecular FormulaC13H13ClN2O2S2
Molecular Weight328.85 g/mol
Exact Mass328.01
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
SMILESCc1cc(S(=O)(=O)N2CCc3ccc(N)cc32)sc1Cl
InChIInChI=1S/C13H13ClN2O2S2/c1-8-6-12(19-13(8)14)20(17,18)16-5-4-9-2-3-10(15)7-11(9)16/h2-3,6-7H,4-5,15H2,1H3
InChIKeyYAKNNXPCRBUCNN-UHFFFAOYSA-N
XLogP3.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
CID 80578213
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28707117
1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28970986
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine
CID 103413778
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine
CID 106465446
1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62266376
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine
CID 83209711
7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 28707191
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120707091

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine (CID 103099496) is 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine is Cc1cc(S(=O)(=O)N2CCc3ccc(N)cc32)sc1Cl.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine?
The InChIKey is YAKNNXPCRBUCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S2/c1-8-6-12(19-13(8)14)20(17,18)16-5-4-9-2-3-10(15)7-11(9)16/h2-3,6-7H,4-5,15H2,1H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine?
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine has a molecular weight of 328.85 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 103099496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).