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

C15H14ClNO3S — CID 3418940

IUPAC4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1COc2ccccc2N1S(=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
InChIKeyZDKPGCVIAFEFJW-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.32
Rot. Bonds2

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

4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 3418940) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID3418940
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1COc2ccccc2N1S(=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
InChIKeyZDKPGCVIAFEFJW-UHFFFAOYSA-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

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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-(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
(3R)-4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine
CID 1476764

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine (CID 3418940) is 4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine is CC1COc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ZDKPGCVIAFEFJW-UHFFFAOYSA-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.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
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 4-(4-chlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 3418940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).