N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide

C13H21NO4S — CID 3510544

IUPACN-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)C(OC)OC)cc1
InChIInChI=1S/C13H21NO4S/c1-5-11-6-8-12(9-7-11)19(15,16)14-10(2)13(17-3)18-4/h6-10,13-14H,5H2,1-4H3
InChIKeyVDTPWDQTVHHDAP-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.53
Rot. Bonds7

About N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide

N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide (PubChem CID 3510544) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide
PubChem CID3510544
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)C(OC)OC)cc1
InChIInChI=1S/C13H21NO4S/c1-5-11-6-8-12(9-7-11)19(15,16)14-10(2)13(17-3)18-4/h6-10,13-14H,5H2,1-4H3
InChIKeyVDTPWDQTVHHDAP-UHFFFAOYSA-N
XLogP1.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide
CID 5006401
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
N-(1,1-dimethoxypropan-2-yl)-4-phenylbenzenesulfonamide
CID 25039128
N-(1,1-dimethoxypropan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 5165120
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 67276511
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
3-bromo-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide
CID 5147367
(4-ethylphenyl) 4-(propan-2-ylsulfamoyl)benzoate
CID 16592113
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 55262110

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide (CID 3510544) is N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NC(C)C(OC)OC)cc1.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide?
The InChIKey is VDTPWDQTVHHDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-5-11-6-8-12(9-7-11)19(15,16)14-10(2)13(17-3)18-4/h6-10,13-14H,5H2,1-4H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide?
N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 3510544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).