1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide

C19H22ClNO3S — CID 27450404

IUPAC1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H22ClNO3S/c20-18-9-5-4-6-16(18)14-25(22,23)21-15-19(10-12-24-13-11-19)17-7-2-1-3-8-17/h1-9,21H,10-15H2
InChIKeyNBNQIDUQMJSPLJ-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.51
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide (PubChem CID 27450404) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide
PubChem CID27450404
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H22ClNO3S/c20-18-9-5-4-6-16(18)14-25(22,23)21-15-19(10-12-24-13-11-19)17-7-2-1-3-8-17/h1-9,21H,10-15H2
InChIKeyNBNQIDUQMJSPLJ-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide (CID 27450404) is 1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide?
The InChIKey is NBNQIDUQMJSPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c20-18-9-5-4-6-16(18)14-25(22,23)21-15-19(10-12-24-13-11-19)17-7-2-1-3-8-17/h1-9,21H,10-15H2.
What are the key properties of 1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide has a molecular weight of 379.91 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(4-phenyloxan-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 27450404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).