N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide

C13H18N4O2S — CID 106084964

IUPACN-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NC(C)c2ncc[nH]2)c1
InChIInChI=1S/C13H18N4O2S/c1-10(13-15-6-7-16-13)17-20(18,19)12-5-3-4-11(8-12)9-14-2/h3-8,10,14,17H,9H2,1-2H3,(H,15,16)
InChIKeyLURNZOYZMQFNHN-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.17
Rot. Bonds6

About N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide

N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106084964) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106084964
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NC(C)c2ncc[nH]2)c1
InChIInChI=1S/C13H18N4O2S/c1-10(13-15-6-7-16-13)17-20(18,19)12-5-3-4-11(8-12)9-14-2/h3-8,10,14,17H,9H2,1-2H3,(H,15,16)
InChIKeyLURNZOYZMQFNHN-UHFFFAOYSA-N
XLogP1.17
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084997
N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085091
N-[1-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085042
N-[1-(1H-imidazol-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106085006
4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106084999
3-amino-5-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 114626240
5-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106085088
4-cyano-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106997384
3-(aminomethyl)-2,4-difluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085041
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
N-benzyl-1-(1H-imidazol-2-yl)ethanamine
CID 22398694
3-(methylaminomethyl)benzenesulfonic acid
CID 19897302

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide (CID 106084964) is N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NC(C)c2ncc[nH]2)c1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is LURNZOYZMQFNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10(13-15-6-7-16-13)17-20(18,19)12-5-3-4-11(8-12)9-14-2/h3-8,10,14,17H,9H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide?
N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106084964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).