N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide

C20H22N4O3S — CID 166272664

IUPACN-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCc3ccc4[nH]ncc4c3)ccc21
InChIInChI=1S/C20H22N4O3S/c1-20(2)16-11-15(5-7-18(16)24(3)19(20)25)28(26,27)22-9-8-13-4-6-17-14(10-13)12-21-23-17/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyBDEFWROVOXPESL-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide

N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide (PubChem CID 166272664) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
PubChem CID166272664
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCc3ccc4[nH]ncc4c3)ccc21
InChIInChI=1S/C20H22N4O3S/c1-20(2)16-11-15(5-7-18(16)24(3)19(20)25)28(26,27)22-9-8-13-4-6-17-14(10-13)12-21-23-17/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyBDEFWROVOXPESL-UHFFFAOYSA-N
XLogP2.34
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide
CID 22518795
N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
CID 22582606
N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 126835078
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384490
1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide
CID 20901007
N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
CID 20903323
5-(methoxymethyl)-1H-indazole
CID 123206066
2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide
CID 154880645
(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid
CID 92863742
N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]cyclopropanecarboxamide
CID 110790327
3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 110384507
4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 170691619

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The IUPAC name of N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide (CID 166272664) is N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCc3ccc4[nH]ncc4c3)ccc21.
What is the InChIKey of N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The InChIKey is BDEFWROVOXPESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-20(2)16-11-15(5-7-18(16)24(3)19(20)25)28(26,27)22-9-8-13-4-6-17-14(10-13)12-21-23-17/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 166272664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).