N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide

C14H13ClN2O3S — CID 110865813

IUPACN-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)N1CCOc2ccccc21
InChIInChI=1S/C14H13ClN2O3S/c15-11-4-3-5-12(10-11)16-21(18,19)17-8-9-20-14-7-2-1-6-13(14)17/h1-7,10,16H,8-9H2
InChIKeyRJGVAOGUCVQQRN-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.90
Rot. Bonds3

About N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide

N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide (PubChem CID 110865813) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
PubChem CID110865813
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)N1CCOc2ccccc21
InChIInChI=1S/C14H13ClN2O3S/c15-11-4-3-5-12(10-11)16-21(18,19)17-8-9-20-14-7-2-1-6-13(14)17/h1-7,10,16H,8-9H2
InChIKeyRJGVAOGUCVQQRN-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865826
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865792
N-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865770
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865760
N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865789
4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469
4-[(2-bromo-4-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine
CID 75396063
4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine
CID 110639406
methyl 4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-6-carboxylate
CID 66789434
3-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 174350925
4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine
CID 154757419
4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)aniline
CID 61112339

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide (CID 110865813) is N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide is O=S(=O)(Nc1cccc(Cl)c1)N1CCOc2ccccc21.
What is the InChIKey of N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The InChIKey is RJGVAOGUCVQQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-11-4-3-5-12(10-11)16-21(18,19)17-8-9-20-14-7-2-1-6-13(14)17/h1-7,10,16H,8-9H2.
What are the key properties of N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide has a molecular weight of 324.79 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide is sourced from PubChem (CID 110865813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).