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

C15H15ClN2O3S — CID 110865826

IUPACN-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)N1CCOc2ccccc21
InChIInChI=1S/C15H15ClN2O3S/c1-11-10-12(16)6-7-13(11)17-22(19,20)18-8-9-21-15-5-3-2-4-14(15)18/h2-7,10,17H,8-9H2,1H3
InChIKeyVWKZANMTWPNPEV-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.20
Rot. Bonds3

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

N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide (PubChem CID 110865826) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
PubChem CID110865826
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)N1CCOc2ccccc21
InChIInChI=1S/C15H15ClN2O3S/c1-11-10-12(16)6-7-13(11)17-22(19,20)18-8-9-21-15-5-3-2-4-14(15)18/h2-7,10,17H,8-9H2,1H3
InChIKeyVWKZANMTWPNPEV-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865760
N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865813
N-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865770
N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865789
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865792
N-(4-chloro-2-methylphenyl)morpholine-4-sulfonamide
CID 110706024
4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007473
4-[(2-bromo-4-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine
CID 75396063
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827
6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639263
6-chloro-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639498
6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine
CID 141181124

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide (CID 110865826) is N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)N1CCOc2ccccc21.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The InChIKey is VWKZANMTWPNPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-11-10-12(16)6-7-13(11)17-22(19,20)18-8-9-21-15-5-3-2-4-14(15)18/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide has a molecular weight of 338.82 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide is sourced from PubChem (CID 110865826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).