5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

C16H25NO4S — CID 2967885

IUPAC5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C16H25NO4S/c1-16(2,3)12-7-8-14(20-4)15(10-12)22(18,19)17-11-13-6-5-9-21-13/h7-8,10,13,17H,5-6,9,11H2,1-4H3
InChIKeyXTOMKWRSACMWSI-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.45
Rot. Bonds5

About 5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 2967885) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID2967885
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C16H25NO4S/c1-16(2,3)12-7-8-14(20-4)15(10-12)22(18,19)17-11-13-6-5-9-21-13/h7-8,10,13,17H,5-6,9,11H2,1-4H3
InChIKeyXTOMKWRSACMWSI-UHFFFAOYSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-isopropyl-2-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 4565916
3-(4-Methoxy-3-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)acrylic acid
CID 5708114
N-{[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}benzenesulfonamide
CID 1293621
5-(2-Aminoethyl)-2-methoxybenzene-1-sulfonamide hydrochloride
CID 21848695
(R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
CID 10060387
N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide
CID 850126
2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 967887
N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide
CID 967889
N-[2-(1-cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 967893
4-[(5-Tert-butyl-2-ethoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2968838
N-cyclopentyl-4,5-dimethyl-2-(pentyloxy)benzene-1-sulfonamide
CID 39116409
N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide
CID 934558

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 2967885) is 5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is XTOMKWRSACMWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-16(2,3)12-7-8-14(20-4)15(10-12)22(18,19)17-11-13-6-5-9-21-13/h7-8,10,13,17H,5-6,9,11H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2967885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).