4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide

C14H23NO3S — CID 82715696

IUPAC4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NOCC(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-5-12(4)13-6-8-14(9-7-13)19(16,17)15-18-10-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyPFSDAQQQGMNFMU-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.07
Rot. Bonds7

About 4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide

4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide (PubChem CID 82715696) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide
PubChem CID82715696
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NOCC(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-5-12(4)13-6-8-14(9-7-13)19(16,17)15-18-10-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyPFSDAQQQGMNFMU-UHFFFAOYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2-methylpropoxysulfamoyl)benzoate
CID 82715916
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide
CID 82716009
4-[(2R)-butan-2-yl]benzenesulfonate
CID 140600971
3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide
CID 82715795
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048
4-[(2R)-butan-2-yl]benzenesulfonyl chloride
CID 98062552
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide (CID 82715696) is 4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NOCC(C)C)cc1.
What is the InChIKey of 4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is PFSDAQQQGMNFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-12(4)13-6-8-14(9-7-13)19(16,17)15-18-10-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3.
What are the key properties of 4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide?
4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 82715696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).