N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide

C14H16N4O3S — CID 91624455

IUPACN-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3cnn(C)c3)ccc21
InChIInChI=1S/C14H16N4O3S/c1-3-18-13-5-4-11(6-10(13)7-14(18)19)16-22(20,21)12-8-15-17(2)9-12/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyDJVRVDJSJFGQTD-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.13
Rot. Bonds4

About N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide

N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 91624455) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID91624455
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3cnn(C)c3)ccc21
InChIInChI=1S/C14H16N4O3S/c1-3-18-13-5-4-11(6-10(13)7-14(18)19)16-22(20,21)12-8-15-17(2)9-12/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyDJVRVDJSJFGQTD-UHFFFAOYSA-N
XLogP1.13
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 16324867
N-(2,3-dihydroindol-1-ylsulfonyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 53602561
2-(4-(1-methyl-1H-pyrazole-4-sulfonamido)phenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71806901
1-acetyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 168270144
2-bromo-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide
CID 177376973
2-fluoro-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide
CID 177376974
N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]cyclohexanesulfonamide
CID 177376976
1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide
CID 71890352
4-fluoro-N-[7-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 118169090
2,4-difluoro-N-[7-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 118169117
1'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]spiro[indole-3,4'-piperidin]-2(1H)-one
CID 56903224
N-(1-methylindazol-7-yl)-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide
CID 171918684

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide (CID 91624455) is N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide is CCN1C(=O)Cc2cc(NS(=O)(=O)c3cnn(C)c3)ccc21.
What is the InChIKey of N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is DJVRVDJSJFGQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-3-18-13-5-4-11(6-10(13)7-14(18)19)16-22(20,21)12-8-15-17(2)9-12/h4-6,8-9,16H,3,7H2,1-2H3.
What are the key properties of N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide?
N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 320.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 91624455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).