N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide

C14H11ClN2O4S — CID 146288934

IUPACN-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1noc2cccc(Cl)c12
InChIInChI=1S/C14H11ClN2O4S/c1-20-10-6-2-3-8-12(10)22(18,19)17-14-13-9(15)5-4-7-11(13)21-16-14/h2-8H,1H3,(H,16,17)
InChIKeyFARHBFJWMVSOEW-UHFFFAOYSA-N
MW338.77 g/mol
LogP3.29
Rot. Bonds4

About N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide

N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide (PubChem CID 146288934) has the molecular formula C14H11ClN2O4S and a molecular weight of 338.77 g/mol. Its IUPAC name is N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide
PubChem CID146288934
Molecular FormulaC14H11ClN2O4S
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC NameN-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1noc2cccc(Cl)c12
InChIInChI=1S/C14H11ClN2O4S/c1-20-10-6-2-3-8-12(10)22(18,19)17-14-13-9(15)5-4-7-11(13)21-16-14/h2-8H,1H3,(H,16,17)
InChIKeyFARHBFJWMVSOEW-UHFFFAOYSA-N
XLogP3.29
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 146288908
2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 155411211
4-fluoro-6H-1,2-benzoxazol-6-ylium-3-amine;N-(4-fluoro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide;methane;2-methoxybenzenesulfonyl chloride
CID 164950615
2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
CID 67407982
N-[4-chloro-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 155423061
2-ethoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 155654736
2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 170148592
2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 146288981
N-[1-[[4-methoxy-3-[(2-methoxyphenyl)sulfonylamino]-1,2-benzoxazol-6-yl]methyl]pyrrolidin-3-yl]prop-2-ynamide
CID 169078763
4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 146288819
2,6-dimethoxy-N-[4-methoxy-6-[(5-methylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 155411206
N-[6-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]methyl]-4-methoxy-1,2-benzoxazol-3-yl]-2-methoxybenzenesulfonamide
CID 169079098

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide (CID 146288934) is N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1noc2cccc(Cl)c12.
What is the InChIKey of N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide?
The InChIKey is FARHBFJWMVSOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S/c1-20-10-6-2-3-8-12(10)22(18,19)17-14-13-9(15)5-4-7-11(13)21-16-14/h2-8H,1H3,(H,16,17).
What are the key properties of N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide?
N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide has a molecular weight of 338.77 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 146288934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).