N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide

C11H13ClN2O4S — CID 154747701

IUPACN-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C11H13ClN2O4S/c1-19(16,17)13-5-2-6-14-9-4-3-8(12)7-10(9)18-11(14)15/h3-4,7,13H,2,5-6H2,1H3
InChIKeyLVEZXMKTUYHDBT-UHFFFAOYSA-N
MW304.75 g/mol
LogP1.19
Rot. Bonds5

About N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide

N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide (PubChem CID 154747701) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.75 g/mol. Its IUPAC name is N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide
PubChem CID154747701
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.75 g/mol
Exact Mass304.03
IUPAC NameN-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C11H13ClN2O4S/c1-19(16,17)13-5-2-6-14-9-4-3-8(12)7-10(9)18-11(14)15/h3-4,7,13H,2,5-6H2,1H3
InChIKeyLVEZXMKTUYHDBT-UHFFFAOYSA-N
XLogP1.19
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide
CID 86851415
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059
N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide
CID 106339215
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetonitrile
CID 8986046
4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 17443923
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one
CID 54013052
N-[4-(4-chlorophenyl)butyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357510
6-chloro-3-(3-iodoprop-2-ynyl)-1,3-benzoxazol-2-one
CID 19900716
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17308490

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide (CID 154747701) is N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide?
The InChIKey is LVEZXMKTUYHDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c1-19(16,17)13-5-2-6-14-9-4-3-8(12)7-10(9)18-11(14)15/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide?
N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide has a molecular weight of 304.75 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide is sourced from PubChem (CID 154747701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).