N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide

C27H35N3O4S — CID 121427115

IUPACN-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide
SMILESCCc1ccc(N(CC2CCOCC2)S(=O)(=O)c2ccc3nn(CC4CCOCC4)cc3c2)cc1
InChIInChI=1S/C27H35N3O4S/c1-2-21-3-5-25(6-4-21)30(19-23-11-15-34-16-12-23)35(31,32)26-7-8-27-24(17-26)20-29(28-27)18-22-9-13-33-14-10-22/h3-8,17,20,22-23H,2,9-16,18-19H2,1H3
InChIKeyODNOOCABAXYUFU-UHFFFAOYSA-N
MW497.66 g/mol
LogP4.65
Rot. Bonds8

About N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide

N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide (PubChem CID 121427115) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide
PubChem CID121427115
Molecular FormulaC27H35N3O4S
Molecular Weight497.66 g/mol
Exact Mass497.23
IUPAC NameN-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide
SMILESCCc1ccc(N(CC2CCOCC2)S(=O)(=O)c2ccc3nn(CC4CCOCC4)cc3c2)cc1
InChIInChI=1S/C27H35N3O4S/c1-2-21-3-5-25(6-4-21)30(19-23-11-15-34-16-12-23)35(31,32)26-7-8-27-24(17-26)20-29(28-27)18-22-9-13-33-14-10-22/h3-8,17,20,22-23H,2,9-16,18-19H2,1H3
InChIKeyODNOOCABAXYUFU-UHFFFAOYSA-N
XLogP4.65
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide
CID 121427187
N-(4-ethylphenyl)-2-(oxan-4-ylmethyl)-N-(oxetan-3-ylmethyl)indazole-5-sulfinamide
CID 145103017
N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427227
N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide
CID 162575909
N-(2-fluoro-6-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427103
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 135134029
N-(4-ethylphenyl)-2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-1-oxo-1,3-benzothiazole-6-sulfonamide
CID 121429420
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)indazole-5-sulfonamide;N-(4-ethylphenyl)-N,1-bis(oxan-4-ylmethyl)indazole-5-sulfonamide;N-(4-ethylphenyl)-1-(oxan-4-ylmethyl)-N-propylindazole-5-sulfonamide;N-(2-methylpropyl)-1-(oxan-4-ylmethyl)-N-(4-propan-2-ylphenyl)indazole-5-sulfonamide
CID 157472846
4-[[(Z)-ethylideneamino]-(oxolan-3-ylmethyl)amino]-N-(4-ethylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 137446211
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide
CID 95775848
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 121429520
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905703

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide (CID 121427115) is N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide is CCc1ccc(N(CC2CCOCC2)S(=O)(=O)c2ccc3nn(CC4CCOCC4)cc3c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide?
The InChIKey is ODNOOCABAXYUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-2-21-3-5-25(6-4-21)30(19-23-11-15-34-16-12-23)35(31,32)26-7-8-27-24(17-26)20-29(28-27)18-22-9-13-33-14-10-22/h3-8,17,20,22-23H,2,9-16,18-19H2,1H3.
What are the key properties of N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide?
N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide has a molecular weight of 497.66 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide is sourced from PubChem (CID 121427115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).