N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide

C13H16BrN3O3S — CID 103352902

IUPACN-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESNC1(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)C3)CCC1
InChIInChI=1S/C13H16BrN3O3S/c14-9-6-10-8(5-12(18)17-10)4-11(9)21(19,20)16-7-13(15)2-1-3-13/h4,6,16H,1-3,5,7,15H2,(H,17,18)
InChIKeyQGNJAKPVJJDXNT-UHFFFAOYSA-N
MW374.26 g/mol
LogP1.10
Rot. Bonds4

About N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 103352902) has the molecular formula C13H16BrN3O3S and a molecular weight of 374.26 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID103352902
Molecular FormulaC13H16BrN3O3S
Molecular Weight374.26 g/mol
Exact Mass373.01
IUPAC NameN-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESNC1(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)C3)CCC1
InChIInChI=1S/C13H16BrN3O3S/c14-9-6-10-8(5-12(18)17-10)4-11(9)21(19,20)16-7-13(15)2-1-3-13/h4,6,16H,1-3,5,7,15H2,(H,17,18)
InChIKeyQGNJAKPVJJDXNT-UHFFFAOYSA-N
XLogP1.10
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 83231292
6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83225473
6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83225601
6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83228406
6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83229209
6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 104645670
6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83231282
6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83231451
6-bromo-5-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 83231272
N-(3-amino-2,2-difluoropropyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 114384041
6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 62663889
N-(2-bromoprop-2-enyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113465023

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 103352902) is N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide is NC1(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)C3)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is QGNJAKPVJJDXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3S/c14-9-6-10-8(5-12(18)17-10)4-11(9)21(19,20)16-7-13(15)2-1-3-13/h4,6,16H,1-3,5,7,15H2,(H,17,18).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 374.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 103352902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).