3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide

C19H22BrN3O2S — CID 121421626

IUPAC3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3n[nH]c(Br)c3c2)cc1
InChIInChI=1S/C19H22BrN3O2S/c1-4-14-5-7-15(8-6-14)23(12-13(2)3)26(24,25)16-9-10-18-17(11-16)19(20)22-21-18/h5-11,13H,4,12H2,1-3H3,(H,21,22)
InChIKeyBXZHHBKOQLKSLK-UHFFFAOYSA-N
MW436.38 g/mol
LogP4.74
Rot. Bonds6

About 3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide

3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide (PubChem CID 121421626) has the molecular formula C19H22BrN3O2S and a molecular weight of 436.38 g/mol. Its IUPAC name is 3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide
PubChem CID121421626
Molecular FormulaC19H22BrN3O2S
Molecular Weight436.38 g/mol
Exact Mass435.06
IUPAC Name3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3n[nH]c(Br)c3c2)cc1
InChIInChI=1S/C19H22BrN3O2S/c1-4-14-5-7-15(8-6-14)23(12-13(2)3)26(24,25)16-9-10-18-17(11-16)19(20)22-21-18/h5-11,13H,4,12H2,1-3H3,(H,21,22)
InChIKeyBXZHHBKOQLKSLK-UHFFFAOYSA-N
XLogP4.74
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide
CID 121421659
2-bromo-5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]benzoic acid
CID 86731598
4-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)benzenesulfonamide
CID 121414093
3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen
CID 145102971
[5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate
CID 174868031
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide
CID 121414161
N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide
CID 121421644
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-piperidin-4-yloxybenzenesulfonamide
CID 121414157
N-(4-ethylphenyl)-4-[(4-methyloxan-4-yl)methylamino]-N-(2-methylpropyl)-3-nitrobenzenesulfonamide
CID 121414586
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(piperidin-4-ylmethoxy)benzenesulfonamide
CID 134607306
3-bromo-5-propyl-2H-indazole
CID 114589273
4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 19682262

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide?
The IUPAC name of 3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide (CID 121421626) is 3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide.
What is the SMILES notation for 3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide?
The canonical SMILES for 3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide is CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3n[nH]c(Br)c3c2)cc1.
What is the InChIKey of 3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide?
The InChIKey is BXZHHBKOQLKSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2S/c1-4-14-5-7-15(8-6-14)23(12-13(2)3)26(24,25)16-9-10-18-17(11-16)19(20)22-21-18/h5-11,13H,4,12H2,1-3H3,(H,21,22).
What are the key properties of 3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide?
3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide has a molecular weight of 436.38 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide is sourced from PubChem (CID 121421626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).