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

C17H20N2O3S — CID 22518934

IUPACN-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc3c(c2)N(C)CCO3)c1
InChIInChI=1S/C17H20N2O3S/c1-3-13-5-4-6-14(11-13)18-23(20,21)15-7-8-17-16(12-15)19(2)9-10-22-17/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeyMUUBHTUBBOMGKY-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.88
Rot. Bonds4

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

N-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 22518934) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID22518934
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc3c(c2)N(C)CCO3)c1
InChIInChI=1S/C17H20N2O3S/c1-3-13-5-4-6-14(11-13)18-23(20,21)15-7-8-17-16(12-15)19(2)9-10-22-17/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeyMUUBHTUBBOMGKY-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 22518934) is N-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is CCc1cccc(NS(=O)(=O)c2ccc3c(c2)N(C)CCO3)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is MUUBHTUBBOMGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-13-5-4-6-14(11-13)18-23(20,21)15-7-8-17-16(12-15)19(2)9-10-22-17/h4-8,11-12,18H,3,9-10H2,1-2H3.
What are the key properties of N-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
N-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 22518934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).