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

C13H16ClN3O3S — CID 115301382

IUPACN-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESNC(CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2)C1CC1
InChIInChI=1S/C13H16ClN3O3S/c14-9-5-11-8(4-13(18)17-11)3-12(9)21(19,20)16-6-10(15)7-1-2-7/h3,5,7,10,16H,1-2,4,6,15H2,(H,17,18)
InChIKeyFPWFDNNSCMPLIN-UHFFFAOYSA-N
MW329.81 g/mol
LogP0.85
Rot. Bonds5

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

N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 115301382) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID115301382
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC NameN-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESNC(CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2)C1CC1
InChIInChI=1S/C13H16ClN3O3S/c14-9-5-11-8(4-13(18)17-11)3-12(9)21(19,20)16-6-10(15)7-1-2-7/h3,5,7,10,16H,1-2,4,6,15H2,(H,17,18)
InChIKeyFPWFDNNSCMPLIN-UHFFFAOYSA-N
XLogP0.85
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-hydroxybutyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 64540623
6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502382
N-(2-amino-1-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65188670
6-chloro-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502039
6-chloro-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 62663889
N-(3-amino-2,2-difluoropropyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 114384041
N-(2-bromoprop-2-enyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113465023
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919
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-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 120582899
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-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 115301382) is N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide is NC(CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is FPWFDNNSCMPLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c14-9-5-11-8(4-13(18)17-11)3-12(9)21(19,20)16-6-10(15)7-1-2-7/h3,5,7,10,16H,1-2,4,6,15H2,(H,17,18).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 329.81 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-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 115301382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).