N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

C14H18N2O4S — CID 20958850

IUPACN-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(-c2cnc(C)o2)cc1
InChIInChI=1S/C14H18N2O4S/c1-11-15-10-14(20-11)12-4-6-13(7-5-12)21(17,18)16-8-3-9-19-2/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyJBQSTWYPTMRPAL-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.96
Rot. Bonds7

About N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20958850) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20958850
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(-c2cnc(C)o2)cc1
InChIInChI=1S/C14H18N2O4S/c1-11-15-10-14(20-11)12-4-6-13(7-5-12)21(17,18)16-8-3-9-19-2/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyJBQSTWYPTMRPAL-UHFFFAOYSA-N
XLogP1.96
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958826
N-[(4-chlorophenyl)methyl]-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958766
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258829
N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958814
N,N-diethyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958862
4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 142884261
N-[3-(2-methoxyethoxy)propyl]-4-methylsulfonylbenzenesulfonamide
CID 55559817
[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
CID 169358592
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 162394822

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20958850) is N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is COCCCNS(=O)(=O)c1ccc(-c2cnc(C)o2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is JBQSTWYPTMRPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-11-15-10-14(20-11)12-4-6-13(7-5-12)21(17,18)16-8-3-9-19-2/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20958850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).