4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

C16H25NO3S — CID 25041317

IUPAC4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H25NO3S/c1-4-16(2,3)13-7-9-15(10-8-13)21(18,19)17-12-14-6-5-11-20-14/h7-10,14,17H,4-6,11-12H2,1-3H3
InChIKeyBUFAWQTXFWHBRK-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.83
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 25041317) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID25041317
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H25NO3S/c1-4-16(2,3)13-7-9-15(10-8-13)21(18,19)17-12-14-6-5-11-20-14/h7-10,14,17H,4-6,11-12H2,1-3H3
InChIKeyBUFAWQTXFWHBRK-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 6733441
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830
1-tert-butyl-3-[[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoyl]amino]thiourea
CID 9425907

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 25041317) is 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is BUFAWQTXFWHBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-4-16(2,3)13-7-9-15(10-8-13)21(18,19)17-12-14-6-5-11-20-14/h7-10,14,17H,4-6,11-12H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 25041317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).