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

C11H13ClN2O4S — CID 43502382

IUPAC6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(O)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C11H13ClN2O4S/c1-6(15)5-13-19(17,18)10-2-7-3-11(16)14-9(7)4-8(10)12/h2,4,6,13,15H,3,5H2,1H3,(H,14,16)
InChIKeyUNUXLMSYTBMLKJ-UHFFFAOYSA-N
MW304.76 g/mol
LogP0.49
Rot. Bonds4

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

6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 43502382) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.76 g/mol. Its IUPAC name is 6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID43502382
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.76 g/mol
Exact Mass304.03
IUPAC Name6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(O)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C11H13ClN2O4S/c1-6(15)5-13-19(17,18)10-2-7-3-11(16)14-9(7)4-8(10)12/h2,4,6,13,15H,3,5H2,1H3,(H,14,16)
InChIKeyUNUXLMSYTBMLKJ-UHFFFAOYSA-N
XLogP0.49
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 50.49
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-2-oxo-N-[2-(propan-2-ylamino)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 62663889
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
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490
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
(2R)-2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80755907
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 43502382) is 6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is CC(O)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is UNUXLMSYTBMLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c1-6(15)5-13-19(17,18)10-2-7-3-11(16)14-9(7)4-8(10)12/h2,4,6,13,15H,3,5H2,1H3,(H,14,16).
What are the key properties of 6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 304.76 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43502382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).