N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide

C16H17N3O3S — CID 110759654

IUPACN-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
SMILESCCN(CCc1ccncc1)S(=O)(=O)c1ccc2ncoc2c1
InChIInChI=1S/C16H17N3O3S/c1-2-19(10-7-13-5-8-17-9-6-13)23(20,21)14-3-4-15-16(11-14)22-12-18-15/h3-6,8-9,11-12H,2,7,10H2,1H3
InChIKeyHSSOAEMRNSDXRM-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.48
Rot. Bonds6

About N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide

N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 110759654) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
PubChem CID110759654
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
SMILESCCN(CCc1ccncc1)S(=O)(=O)c1ccc2ncoc2c1
InChIInChI=1S/C16H17N3O3S/c1-2-19(10-7-13-5-8-17-9-6-13)23(20,21)14-3-4-15-16(11-14)22-12-18-15/h3-6,8-9,11-12H,2,7,10H2,1H3
InChIKeyHSSOAEMRNSDXRM-UHFFFAOYSA-N
XLogP2.48
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 110759653
N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110759419
N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938079
N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110755758
3-pyridin-4-ylpropyl 5-(diethylsulfamoyl)-2-methylbenzoate
CID 78772214
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 47084792
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 110755749
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol
CID 115229523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide (CID 110759654) is N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide is CCN(CCc1ccncc1)S(=O)(=O)c1ccc2ncoc2c1.
What is the InChIKey of N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is HSSOAEMRNSDXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-2-19(10-7-13-5-8-17-9-6-13)23(20,21)14-3-4-15-16(11-14)22-12-18-15/h3-6,8-9,11-12H,2,7,10H2,1H3.
What are the key properties of N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide?
N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110759654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).