N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide

C12H16ClN3O4S — CID 64540623

IUPACN-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(O)C(N)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C12H16ClN3O4S/c1-6(17)9(14)5-15-21(19,20)11-2-7-3-12(18)16-10(7)4-8(11)13/h2,4,6,9,15,17H,3,5,14H2,1H3,(H,16,18)
InChIKeyVMAJZCFJRIRVFL-UHFFFAOYSA-N
MW333.80 g/mol
LogP-0.18
Rot. Bonds5

About N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 64540623) has the molecular formula C12H16ClN3O4S and a molecular weight of 333.80 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID64540623
Molecular FormulaC12H16ClN3O4S
Molecular Weight333.80 g/mol
Exact Mass333.06
IUPAC NameN-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(O)C(N)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C12H16ClN3O4S/c1-6(17)9(14)5-15-21(19,20)11-2-7-3-12(18)16-10(7)4-8(11)13/h2,4,6,9,15,17H,3,5,14H2,1H3,(H,16,18)
InChIKeyVMAJZCFJRIRVFL-UHFFFAOYSA-N
XLogP-0.18
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 64540623) is N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide is CC(O)C(N)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is VMAJZCFJRIRVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4S/c1-6(17)9(14)5-15-21(19,20)11-2-7-3-12(18)16-10(7)4-8(11)13/h2,4,6,9,15,17H,3,5,14H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 333.80 g/mol, XLogP of -0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 64540623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).