6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide

C13H18ClN3O3S — CID 62663889

IUPAC6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)NCCNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H18ClN3O3S/c1-8(2)15-3-4-16-21(19,20)12-5-9-6-13(18)17-11(9)7-10(12)14/h5,7-8,15-16H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyUYOCPKHFYQTLSD-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.11
Rot. Bonds6

About 6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide

6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 62663889) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is 6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide
PubChem CID62663889
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC Name6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)NCCNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H18ClN3O3S/c1-8(2)15-3-4-16-21(19,20)12-5-9-6-13(18)17-11(9)7-10(12)14/h5,7-8,15-16H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyUYOCPKHFYQTLSD-UHFFFAOYSA-N
XLogP1.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502039
6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502382
N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 64540623
N-(2-bromoprop-2-enyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113465023
N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115301382
N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 63194322
N-(1-aminobutan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65194062
N-(3-amino-2,2-difluoropropyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 114384041
6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 44634854
N-(2-amino-1-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65188670
6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 61283170
(2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80755907

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide (CID 62663889) is 6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide is CC(C)NCCNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is UYOCPKHFYQTLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-8(2)15-3-4-16-21(19,20)12-5-9-6-13(18)17-11(9)7-10(12)14/h5,7-8,15-16H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide?
6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 331.83 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 62663889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).