N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

C16H17ClN2O3S — CID 22518919

IUPACN-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C16H17ClN2O3S/c1-11-13(17)4-3-5-14(11)18-23(20,21)12-6-7-16-15(10-12)19(2)8-9-22-16/h3-7,10,18H,8-9H2,1-2H3
InChIKeyWVTMULTVJMMXGL-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.28
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 22518919) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID22518919
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C16H17ClN2O3S/c1-11-13(17)4-3-5-14(11)18-23(20,21)12-6-7-16-15(10-12)19(2)8-9-22-16/h3-7,10,18H,8-9H2,1-2H3
InChIKeyWVTMULTVJMMXGL-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519383
N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1090608
6-(4-chloroindol-1-yl)sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 141293458
N-[2-iodo-4-(trifluoromethyl)phenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 67034634
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
3-amino-N-(3-chloro-2-methylphenyl)-4-(1,4-diazepan-1-yl)benzenesulfonamide;hydrochloride
CID 10224673
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
3-chloro-2-methyl-N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]quinolin-3-yl]benzenesulfonamide
CID 57493692
3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110639725
3-chloro-4-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide
CID 40889462
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 22518919) is N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)N(C)CCO2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is WVTMULTVJMMXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11-13(17)4-3-5-14(11)18-23(20,21)12-6-7-16-15(10-12)19(2)8-9-22-16/h3-7,10,18H,8-9H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 352.84 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 22518919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).