N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide

C15H22N4O2S — CID 97231398

IUPACN-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cnn(C)c2)c1
InChIInChI=1S/C15H22N4O2S/c1-11(18-12(2)14-9-17-19(4)10-14)13-6-5-7-15(8-13)22(20,21)16-3/h5-12,16,18H,1-4H3/t11-,12+/m0/s1
InChIKeyHWAKGGONBLQIDK-NWDGAFQWSA-N
MW322.43 g/mol
LogP1.74
Rot. Bonds6

About N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide

N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide (PubChem CID 97231398) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide
PubChem CID97231398
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cnn(C)c2)c1
InChIInChI=1S/C15H22N4O2S/c1-11(18-12(2)14-9-17-19(4)10-14)13-6-5-7-15(8-13)22(20,21)16-3/h5-12,16,18H,1-4H3/t11-,12+/m0/s1
InChIKeyHWAKGGONBLQIDK-NWDGAFQWSA-N
XLogP1.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 55903082
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
methyl (2S)-2-[[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615830
methyl (2R)-2-[[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615833
N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
CID 95189601
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
(1R)-1-(3-methoxy-4-methylsulfonylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 97322885
(1S)-1-(3-methoxy-4-methylsulfonylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 97322884
1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide
CID 166215188
N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide
CID 75428354
3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 93345301
5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 166233647

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide (CID 97231398) is N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide is CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cnn(C)c2)c1.
What is the InChIKey of N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide?
The InChIKey is HWAKGGONBLQIDK-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11(18-12(2)14-9-17-19(4)10-14)13-6-5-7-15(8-13)22(20,21)16-3/h5-12,16,18H,1-4H3/t11-,12+/m0/s1.
What are the key properties of N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide?
N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97231398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).