N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide

C13H18N2O3S — CID 110760549

IUPACN-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C13H18N2O3S/c1-4-5-8-15(3)19(16,17)11-6-7-13-12(9-11)14-10(2)18-13/h6-7,9H,4-5,8H2,1-3H3
InChIKeyMZTBCTYHHDBTHJ-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.56
Rot. Bonds5

About N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide

N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760549) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
PubChem CID110760549
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C13H18N2O3S/c1-4-5-8-15(3)19(16,17)11-6-7-13-12(9-11)14-10(2)18-13/h6-7,9H,4-5,8H2,1-3H3
InChIKeyMZTBCTYHHDBTHJ-UHFFFAOYSA-N
XLogP2.56
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760690
2-methyl-1,3-benzoxazole-5-sulfonamide
CID 43173624
5-[butyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 4286540
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide
CID 110760294
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine
CID 116855218
N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
CID 116853402
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide (CID 110760549) is N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide is CCCCN(C)S(=O)(=O)c1ccc2oc(C)nc2c1.
What is the InChIKey of N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide?
The InChIKey is MZTBCTYHHDBTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-5-8-15(3)19(16,17)11-6-7-13-12(9-11)14-10(2)18-13/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide?
N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).