N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide

C19H22N4O2S — CID 155342787

IUPACN-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C19H22N4O2S/c1-14(15-7-5-4-6-8-15)22-18-10-9-16(26(24,25)20-2)11-17(18)19-12-23(3)13-21-19/h4-14,20,22H,1-3H3/t14-/m0/s1
InChIKeyXVPWGRGCHHBYIB-AWEZNQCLSA-N
MW370.48 g/mol
LogP3.17
Rot. Bonds6

About N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide

N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide (PubChem CID 155342787) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide
PubChem CID155342787
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C19H22N4O2S/c1-14(15-7-5-4-6-8-15)22-18-10-9-16(26(24,25)20-2)11-17(18)19-12-23(3)13-21-19/h4-14,20,22H,1-3H3/t14-/m0/s1
InChIKeyXVPWGRGCHHBYIB-AWEZNQCLSA-N
XLogP3.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide
CID 155342974
N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
CID 155342881
N-methyl-3-(1-methylimidazol-4-yl)-4-[(4-methylphenyl)methyl]benzenesulfonamide
CID 163534192
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 163393358
N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethoxy)phenyl]methylamino]benzenesulfonamide
CID 155342859
4-[[(1E,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]amino]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 155366734
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-(trifluoromethylsulfanyl)phenyl]methyl]benzenesulfonamide
CID 158234105
4-[[5-[cyclopropyloxy(difluoro)methyl]-2-pyridinyl]amino]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 166161977
2-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylpropyl]amino]benzenesulfonamide
CID 175707104
1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide
CID 171514607
2-[[(1S)-1-phenylethyl]amino]-5-[[(1S)-1-phenylethyl]sulfamoyl]benzoic acid
CID 99984493
2-(1-phenylethylamino)-5-(phenylsulfamoyl)benzoic acid
CID 133144406

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide (CID 155342787) is N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(-c2cn(C)cn2)c1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide?
The InChIKey is XVPWGRGCHHBYIB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14(15-7-5-4-6-8-15)22-18-10-9-16(26(24,25)20-2)11-17(18)19-12-23(3)13-21-19/h4-14,20,22H,1-3H3/t14-/m0/s1.
What are the key properties of N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide?
N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide is sourced from PubChem (CID 155342787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).