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

C14H18N2O3S — CID 562945

IUPAC4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H18N2O3S/c1-3-4-5-12-6-8-13(9-7-12)20(17,18)16-14-10-11(2)19-15-14/h6-10H,3-5H2,1-2H3,(H,15,16)
InChIKeyTYHDHPUAOQCPDZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.13
Rot. Bonds6

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

4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 562945) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID562945
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H18N2O3S/c1-3-4-5-12-6-8-13(9-7-12)20(17,18)16-14-10-11(2)19-15-14/h6-10H,3-5H2,1-2H3,(H,15,16)
InChIKeyTYHDHPUAOQCPDZ-UHFFFAOYSA-N
XLogP3.13
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 3771750
CID 57350054
CID 57350054
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]decanamide
CID 19578382
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
1-ethyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 2730614
N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide
CID 18539269

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 562945) is 4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is TYHDHPUAOQCPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-4-5-12-6-8-13(9-7-12)20(17,18)16-14-10-11(2)19-15-14/h6-10H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 562945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).