(3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine

C15H14ClNO3S — CID 1476764

IUPAC(3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine
SMILESC[C@@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11-10-20-15-5-3-2-4-14(15)17(11)21(18,19)13-8-6-12(16)7-9-13/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyZDKPGCVIAFEFJW-LLVKDONJSA-N
MW323.80 g/mol
LogP3.32
Rot. Bonds2

About (3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine

(3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 1476764) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is (3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name(3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID1476764
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name(3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine
SMILESC[C@@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11-10-20-15-5-3-2-4-14(15)17(11)21(18,19)13-8-6-12(16)7-9-13/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyZDKPGCVIAFEFJW-LLVKDONJSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine 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

1-((4-Chlorophenyl)sulfonyl)-4-(2-methoxyphenyl)piperazine
CID 1068085
2,4-dichloro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431602
3-chloro-2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431607
4-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenyl methyl ether
CID 1473035
N-[5-[(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71451887
N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4880111
4-[(4-chlorophenyl)sulfonyl]-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 3418940
4-(3-Chlorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 22557214
4-(2-Chlorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 22557292
4-chloro-2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431611
5-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431612
4-chloro-N-(2-ethoxyphenyl)benzene-1-sulfonamide
CID 710432

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of (3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine (CID 1476764) is (3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for (3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for (3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine is C[C@@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ZDKPGCVIAFEFJW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-11-10-20-15-5-3-2-4-14(15)17(11)21(18,19)13-8-6-12(16)7-9-13/h2-9,11H,10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
(3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 323.80 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 1476764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).