N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide

C12H16N2O3S — CID 22973776

IUPACN-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide
SMILESCCCCc1nc2cc(NS(C)(=O)=O)ccc2o1
InChIInChI=1S/C12H16N2O3S/c1-3-4-5-12-13-10-8-9(14-18(2,15)16)6-7-11(10)17-12/h6-8,14H,3-5H2,1-2H3
InChIKeyVWTSQQPXYYUTIG-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.54
Rot. Bonds5

About N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide

N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide (PubChem CID 22973776) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide
PubChem CID22973776
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide
SMILESCCCCc1nc2cc(NS(C)(=O)=O)ccc2o1
InChIInChI=1S/C12H16N2O3S/c1-3-4-5-12-13-10-8-9(14-18(2,15)16)6-7-11(10)17-12/h6-8,14H,3-5H2,1-2H3
InChIKeyVWTSQQPXYYUTIG-UHFFFAOYSA-N
XLogP2.54
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 10389165
N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide
CID 169370870
2-butyl-5-chloro-1,3-benzoxazole
CID 3726019
5-ethylsulfonyl-2-hexyl-1,3-benzoxazole
CID 68741368
2-butyl-1,3-benzoxazole-5-carboxylic acid
CID 2763366
N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 155526717
2-ethyl-N-hexyl-1,3-benzoxazol-5-amine
CID 63451586
2-butyl-1,3-benzoxazole-6-sulfonyl chloride
CID 82358031
2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole
CID 168514211
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
methyl 2-butyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate
CID 68747130
2-hexyl-5-methoxy-1,3-benzoxazole
CID 11276348

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide?
The IUPAC name of N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide (CID 22973776) is N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide?
The canonical SMILES for N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide is CCCCc1nc2cc(NS(C)(=O)=O)ccc2o1.
What is the InChIKey of N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide?
The InChIKey is VWTSQQPXYYUTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-3-4-5-12-13-10-8-9(14-18(2,15)16)6-7-11(10)17-12/h6-8,14H,3-5H2,1-2H3.
What are the key properties of N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide?
N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide is sourced from PubChem (CID 22973776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).