N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide

C12H16ClN3O3S — CID 65194062

IUPACN-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCCC(CN)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C12H16ClN3O3S/c1-2-8(6-14)16-20(18,19)11-3-7-4-12(17)15-10(7)5-9(11)13/h3,5,8,16H,2,4,6,14H2,1H3,(H,15,17)
InChIKeyMCZGIMXNHVXSRX-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.85
Rot. Bonds5

About N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 65194062) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID65194062
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC NameN-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCCC(CN)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C12H16ClN3O3S/c1-2-8(6-14)16-20(18,19)11-3-7-4-12(17)15-10(7)5-9(11)13/h3,5,8,16H,2,4,6,14H2,1H3,(H,15,17)
InChIKeyMCZGIMXNHVXSRX-UHFFFAOYSA-N
XLogP0.85
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65188670
N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 63194322
(2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80755907
6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 62663889
N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 64540623
N-(3-amino-2,2-difluoropropyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 114384041
6-chloro-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502039
N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115301382
N-(2-bromoprop-2-enyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113465023
6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 44634854
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 79684934

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 65194062) is N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide is CCC(CN)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is MCZGIMXNHVXSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-2-8(6-14)16-20(18,19)11-3-7-4-12(17)15-10(7)5-9(11)13/h3,5,8,16H,2,4,6,14H2,1H3,(H,15,17).
What are the key properties of N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 317.80 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 65194062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).