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

C17H20N2O4S — CID 22518941

IUPACN-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C17H20N2O4S/c1-3-22-16-7-5-4-6-14(16)18-24(20,21)13-8-9-17-15(12-13)19(2)10-11-23-17/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyRLJLRSGJHPTSSW-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.71
Rot. Bonds5

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

N-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 22518941) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID22518941
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C17H20N2O4S/c1-3-22-16-7-5-4-6-14(16)18-24(20,21)13-8-9-17-15(12-13)19(2)10-11-23-17/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyRLJLRSGJHPTSSW-UHFFFAOYSA-N
XLogP2.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
CID 66804
5-Amino-N-(4-methoxy-phenyl)-2-morpholin-4-yl-benzenesulfonamide
CID 2963517
3-amino-N,N-diethyl-4-(propan-2-yloxy)benzene-1-sulfonamide
CID 3773327
5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
CID 3809457
5-amino-N-(2-methoxyphenyl)-2-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3695295
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 3851493
N-(5-iodo-2-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940101
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
6-Fluoro-4-(2-fluorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 17961002
2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431547
3-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431551

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 22518941) is N-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C)CCO2.
What is the InChIKey of N-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is RLJLRSGJHPTSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-22-16-7-5-4-6-14(16)18-24(20,21)13-8-9-17-15(12-13)19(2)10-11-23-17/h4-9,12,18H,3,10-11H2,1-2H3.
What are the key properties of N-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
N-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 22518941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).