2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide

C16H14N4O5S — CID 110400838

IUPAC2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCn3c(=O)[nH]c4ccccc43)cc2o1
InChIInChI=1S/C16H14N4O5S/c21-15-18-11-3-1-2-4-13(11)20(15)8-7-17-26(23,24)10-5-6-12-14(9-10)25-16(22)19-12/h1-6,9,17H,7-8H2,(H,18,21)(H,19,22)
InChIKeyQRXSJCKSIRSJKO-UHFFFAOYSA-N
MW374.38 g/mol
LogP0.74
Rot. Bonds5

About 2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide

2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110400838) has the molecular formula C16H14N4O5S and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110400838
Molecular FormulaC16H14N4O5S
Molecular Weight374.38 g/mol
Exact Mass374.07
IUPAC Name2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCn3c(=O)[nH]c4ccccc43)cc2o1
InChIInChI=1S/C16H14N4O5S/c21-15-18-11-3-1-2-4-13(11)20(15)8-7-17-26(23,24)10-5-6-12-14(9-10)25-16(22)19-12/h1-6,9,17H,7-8H2,(H,18,21)(H,19,22)
InChIKeyQRXSJCKSIRSJKO-UHFFFAOYSA-N
XLogP0.74
TPSA129.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110400819
3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400828
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110789459
2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110722686
N-[3-(3-chlorophenyl)propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110661206
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110400794
N-[2-(2-aminoethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345205
6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 7573837
2,4-dimethyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400804
2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110320478
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110396494

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide (CID 110400838) is 2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCCn3c(=O)[nH]c4ccccc43)cc2o1.
What is the InChIKey of 2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is QRXSJCKSIRSJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S/c21-15-18-11-3-1-2-4-13(11)20(15)8-7-17-26(23,24)10-5-6-12-14(9-10)25-16(22)19-12/h1-6,9,17H,7-8H2,(H,18,21)(H,19,22).
What are the key properties of 2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide?
2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 374.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110400838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).