5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide

C17H27NO3S — CID 172893941

IUPAC5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide
SMILESCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C17H27NO3S/c1-5-11-21-15-10-9-13(17(2,3)4)12-16(15)22(19,20)18-14-7-6-8-14/h9-10,12,14,18H,5-8,11H2,1-4H3
InChIKeyJSLVDIGRBOSFEQ-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.60
Rot. Bonds6

About 5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide

5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide (PubChem CID 172893941) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide
PubChem CID172893941
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide
SMILESCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C17H27NO3S/c1-5-11-21-15-10-9-13(17(2,3)4)12-16(15)22(19,20)18-14-7-6-8-14/h9-10,12,14,18H,5-8,11H2,1-4H3
InChIKeyJSLVDIGRBOSFEQ-UHFFFAOYSA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
5-tert-butyl-2-propoxybenzenesulfonyl chloride
CID 2757334
5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide
CID 7314568
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116300
N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide
CID 126779567
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651368
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
2-[(2-butoxy-5-tert-butylphenyl)sulfonylamino]benzoic acid
CID 16645134

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide (CID 172893941) is 5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide is CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCC1.
What is the InChIKey of 5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide?
The InChIKey is JSLVDIGRBOSFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-5-11-21-15-10-9-13(17(2,3)4)12-16(15)22(19,20)18-14-7-6-8-14/h9-10,12,14,18H,5-8,11H2,1-4H3.
What are the key properties of 5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide?
5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide has a molecular weight of 325.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide is sourced from PubChem (CID 172893941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).