N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide

C17H25N3O3S — CID 17377916

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C17H25N3O3S/c1-4-17(2,3)12-8-10-13(11-9-12)20-24(21,22)15-7-5-6-14-16(15)19-23-18-14/h5-7,12-13,20H,4,8-11H2,1-3H3
InChIKeyBTIPCEYNVWDPKM-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.50
Rot. Bonds5

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 17377916) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID17377916
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C17H25N3O3S/c1-4-17(2,3)12-8-10-13(11-9-12)20-24(21,22)15-7-5-6-14-16(15)19-23-18-14/h5-7,12-13,20H,4,8-11H2,1-3H3
InChIKeyBTIPCEYNVWDPKM-UHFFFAOYSA-N
XLogP3.50
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 22772493
N-[(3S)-1,1-dioxothiolan-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 7189339
1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide
CID 22772503
N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 2810583
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 99586180
3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide
CID 112845274
N-[2-[(3S)-1-ethylpiperidin-3-yl]ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 95229855
N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
CID 22772497
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 25238444
N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
N-(2-butylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22774384

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 17377916) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide is CCC(C)(C)C1CCC(NS(=O)(=O)c2cccc3nonc23)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is BTIPCEYNVWDPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-4-17(2,3)12-8-10-13(11-9-12)20-24(21,22)15-7-5-6-14-16(15)19-23-18-14/h5-7,12-13,20H,4,8-11H2,1-3H3.
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 17377916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).