N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide

C16H23N3O3S — CID 93486044

IUPACN-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC[C@H](c1cccn1C)N(C)C
InChIInChI=1S/C16H23N3O3S/c1-18(2)14(13-8-7-11-19(13)3)12-17-23(20,21)16-10-6-5-9-15(16)22-4/h5-11,14,17H,12H2,1-4H3/t14-/m1/s1
InChIKeyDJPACUZRDPCAMY-CQSZACIVSA-N
MW337.45 g/mol
LogP1.61
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide

N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 93486044) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID93486044
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC[C@H](c1cccn1C)N(C)C
InChIInChI=1S/C16H23N3O3S/c1-18(2)14(13-8-7-11-19(13)3)12-17-23(20,21)16-10-6-5-9-15(16)22-4/h5-11,14,17H,12H2,1-4H3/t14-/m1/s1
InChIKeyDJPACUZRDPCAMY-CQSZACIVSA-N
XLogP1.61
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 42264048
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169698
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide
CID 42263946
N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 131702585
N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
CID 78873411
2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177465
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate
CID 95981928
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 90490899
3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90496345

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide (CID 93486044) is N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NC[C@H](c1cccn1C)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is DJPACUZRDPCAMY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-18(2)14(13-8-7-11-19(13)3)12-17-23(20,21)16-10-6-5-9-15(16)22-4/h5-11,14,17H,12H2,1-4H3/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide?
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 93486044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).