3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide

C10H11ClN2O4S — CID 54877723

IUPAC3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide
SMILESO=c1[nH]c2cc(NS(=O)(=O)CCCCl)ccc2o1
InChIInChI=1S/C10H11ClN2O4S/c11-4-1-5-18(15,16)13-7-2-3-9-8(6-7)12-10(14)17-9/h2-3,6,13H,1,4-5H2,(H,12,14)
InChIKeyZIMFTNBEQLYSEV-UHFFFAOYSA-N
MW290.73 g/mol
LogP1.49
Rot. Bonds5

About 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide

3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide (PubChem CID 54877723) has the molecular formula C10H11ClN2O4S and a molecular weight of 290.73 g/mol. Its IUPAC name is 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide
PubChem CID54877723
Molecular FormulaC10H11ClN2O4S
Molecular Weight290.73 g/mol
Exact Mass290.01
IUPAC Name3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide
SMILESO=c1[nH]c2cc(NS(=O)(=O)CCCCl)ccc2o1
InChIInChI=1S/C10H11ClN2O4S/c11-4-1-5-18(15,16)13-7-2-3-9-8(6-7)12-10(14)17-9/h2-3,6,13H,1,4-5H2,(H,12,14)
InChIKeyZIMFTNBEQLYSEV-UHFFFAOYSA-N
XLogP1.49
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one
CID 110607935
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide
CID 37155913
2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide
CID 61051650
1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide
CID 154838414
3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide
CID 30772848
4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 110350561
5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 47062828
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide
CID 43654045
5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one
CID 115120328
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
5-[(1-amino-2-methylpropan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115131689

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide (CID 54877723) is 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide is O=c1[nH]c2cc(NS(=O)(=O)CCCCl)ccc2o1.
What is the InChIKey of 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide?
The InChIKey is ZIMFTNBEQLYSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4S/c11-4-1-5-18(15,16)13-7-2-3-9-8(6-7)12-10(14)17-9/h2-3,6,13H,1,4-5H2,(H,12,14).
What are the key properties of 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide?
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide has a molecular weight of 290.73 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 54877723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).