1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

C16H19BrN2O4S3 — CID 27305230

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H19BrN2O4S3/c1-3-18(4-2)25(20,21)13-5-6-14-12(11-13)9-10-19(14)26(22,23)16-8-7-15(17)24-16/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyAQDTUDTWBLKVGE-UHFFFAOYSA-N
MW479.44 g/mol
LogP3.29
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 27305230) has the molecular formula C16H19BrN2O4S3 and a molecular weight of 479.44 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID27305230
Molecular FormulaC16H19BrN2O4S3
Molecular Weight479.44 g/mol
Exact Mass477.97
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H19BrN2O4S3/c1-3-18(4-2)25(20,21)13-5-6-14-12(11-13)9-10-19(14)26(22,23)16-8-7-15(17)24-16/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyAQDTUDTWBLKVGE-UHFFFAOYSA-N
XLogP3.29
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CID 22205745
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 2206115
1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765097
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
CID 115755446
1-(5-bromo-2-fluorobenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435230
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (CID 27305230) is 1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is AQDTUDTWBLKVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O4S3/c1-3-18(4-2)25(20,21)13-5-6-14-12(11-13)9-10-19(14)26(22,23)16-8-7-15(17)24-16/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 479.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 27305230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).