N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide

C17H22N2O3S — CID 54774542

IUPACN-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CN(C)C)c2ccccc2)cc1
InChIInChI=1S/C17H22N2O3S/c1-19(2)13-17(14-7-5-4-6-8-14)18-23(20,21)16-11-9-15(22-3)10-12-16/h4-12,17-18H,13H2,1-3H3
InChIKeyPXELTDGRCAPYIC-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.28
Rot. Bonds7

About N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide

N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide (PubChem CID 54774542) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
PubChem CID54774542
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CN(C)C)c2ccccc2)cc1
InChIInChI=1S/C17H22N2O3S/c1-19(2)13-17(14-7-5-4-6-8-14)18-23(20,21)16-11-9-15(22-3)10-12-16/h4-12,17-18H,13H2,1-3H3
InChIKeyPXELTDGRCAPYIC-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 54774549
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide
CID 134879610
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[(1S)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-phenoxybenzenesulfonamide
CID 164861909
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide
CID 164862066
methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate
CID 139616851
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide (CID 54774542) is N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(CN(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide?
The InChIKey is PXELTDGRCAPYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-19(2)13-17(14-7-5-4-6-8-14)18-23(20,21)16-11-9-15(22-3)10-12-16/h4-12,17-18H,13H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide?
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 54774542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).