N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

C16H24N2O3S — CID 6624226

IUPACN-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCCCC1)OCCN2C
InChIInChI=1S/C16H24N2O3S/c1-12-10-14-15(21-9-8-18(14)2)11-16(12)22(19,20)17-13-6-4-3-5-7-13/h10-11,13,17H,3-9H2,1-2H3
InChIKeyJTQBVEMBPNNWAQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.43
Rot. Bonds3

About N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (PubChem CID 6624226) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
PubChem CID6624226
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCCCC1)OCCN2C
InChIInChI=1S/C16H24N2O3S/c1-12-10-14-15(21-9-8-18(14)2)11-16(12)22(19,20)17-13-6-4-3-5-7-13/h10-11,13,17H,3-9H2,1-2H3
InChIKeyJTQBVEMBPNNWAQ-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (CID 6624226) is N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NC1CCCCC1)OCCN2C.
What is the InChIKey of N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The InChIKey is JTQBVEMBPNNWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-10-14-15(21-9-8-18(14)2)11-16(12)22(19,20)17-13-6-4-3-5-7-13/h10-11,13,17H,3-9H2,1-2H3.
What are the key properties of N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 6624226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).