4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide

C16H19NO3S — CID 67017000

IUPAC4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-14-7-9-16(10-8-14)21(18,19)17-11-12-20-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyFIEMQFVYGSJLQI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.49
Rot. Bonds7

About 4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide

4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide (PubChem CID 67017000) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
PubChem CID67017000
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-14-7-9-16(10-8-14)21(18,19)17-11-12-20-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyFIEMQFVYGSJLQI-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-P-Tosylglycine benzyl ester
CID 273360
[(4-Methylphenyl)sulfonyl][2-(2-{[(4-methylphenyl)sulfonyl]amino}ethoxy)ethyl] amine
CID 651995
O-benzylglycine toluene-p-sulphonate
CID 6451311
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide
CID 2836278
O-Benzyl-L-alanine toluene-p-sulphonate
CID 3084877
O-benzyl-L-valine toluene-p-sulphonate
CID 11567066
2-bromo-N-(1-phenylmethoxypent-4-en-2-yl)benzenesulfonamide
CID 16746538
Benzyl (3-((4-methylphenyl)sulfonamido)propyl)carbamate
CID 265307
isobutyl N-(phenylsulfonyl)benzenecarboximidoate
CID 5563063
Toluene-4-sulfonic acid 4-benzyloxy-butyl ester
CID 3448994
4-(Methoxymethyl)benzene-1-sulfonamide
CID 57678654
2-methylpropyl N-(benzenesulfonyl)benzenecarboximidate
CID 1678245

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide (CID 67017000) is 4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The InChIKey is FIEMQFVYGSJLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-14-7-9-16(10-8-14)21(18,19)17-11-12-20-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3.
What are the key properties of 4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylmethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 67017000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).