1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide

C13H12ClN3O3S — CID 60698896

IUPAC1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H12ClN3O3S/c14-9-6-11(16-7-9)13(18)17-4-3-8-5-10(21(15,19)20)1-2-12(8)17/h1-2,5-7,16H,3-4H2,(H2,15,19,20)
InChIKeyXTFZKKKTUCNRFE-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.52
Rot. Bonds2

About 1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide

1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 60698896) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID60698896
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H12ClN3O3S/c14-9-6-11(16-7-9)13(18)17-4-3-8-5-10(21(15,19)20)1-2-12(8)17/h1-2,5-7,16H,3-4H2,(H2,15,19,20)
InChIKeyXTFZKKKTUCNRFE-UHFFFAOYSA-N
XLogP1.52
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 63081047
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107965281
1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 79807783
1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698710
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 24526881
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107002948
1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 27316873
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide (CID 60698896) is 1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XTFZKKKTUCNRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-9-6-11(16-7-9)13(18)17-4-3-8-5-10(21(15,19)20)1-2-12(8)17/h1-2,5-7,16H,3-4H2,(H2,15,19,20).
What are the key properties of 1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 325.78 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 60698896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).