(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide

C16H19NO3S — CID 67638769

IUPAC(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide
SMILESCCc1cccc(CS(N)(=O)=O)c1OCc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-2-14-9-6-10-15(12-21(17,18)19)16(14)20-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,17,18,19)
InChIKeyBLGVDGJHTDQROP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.62
Rot. Bonds6

About (3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide

(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide (PubChem CID 67638769) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide
PubChem CID67638769
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide
SMILESCCc1cccc(CS(N)(=O)=O)c1OCc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-2-14-9-6-10-15(12-21(17,18)19)16(14)20-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,17,18,19)
InChIKeyBLGVDGJHTDQROP-UHFFFAOYSA-N
XLogP2.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 67638767
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
(3-phenylmethoxyphenyl)methanesulfonamide
CID 165446616
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 22087416
2-phenylmethoxybenzene-1,3-diol
CID 15652625
CID 68896583
CID 68896583
azane;phenylmethanesulfonamide
CID 67842568
2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid
CID 18705334
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
methyl 8-ethyl-4-phenylmethoxyisoquinoline-3-carboxylate
CID 177153579

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide?
The IUPAC name of (3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide (CID 67638769) is (3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide.
What is the SMILES notation for (3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide?
The canonical SMILES for (3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide is CCc1cccc(CS(N)(=O)=O)c1OCc1ccccc1.
What is the InChIKey of (3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide?
The InChIKey is BLGVDGJHTDQROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-14-9-6-10-15(12-21(17,18)19)16(14)20-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,17,18,19).
What are the key properties of (3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide?
(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 67638769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).