N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide

C13H18N4O2S — CID 106911204

IUPACN-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide
SMILESCC(C)NCc1ccc(NS(=O)(=O)c2cnc[nH]2)cc1
InChIInChI=1S/C13H18N4O2S/c1-10(2)15-7-11-3-5-12(6-4-11)17-20(18,19)13-8-14-9-16-13/h3-6,8-10,15,17H,7H2,1-2H3,(H,14,16)
InChIKeyZOHJUNVONVCLHH-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.71
Rot. Bonds6

About N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide

N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide (PubChem CID 106911204) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide
PubChem CID106911204
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide
SMILESCC(C)NCc1ccc(NS(=O)(=O)c2cnc[nH]2)cc1
InChIInChI=1S/C13H18N4O2S/c1-10(2)15-7-11-3-5-12(6-4-11)17-20(18,19)13-8-14-9-16-13/h3-6,8-10,15,17H,7H2,1-2H3,(H,14,16)
InChIKeyZOHJUNVONVCLHH-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-chloroethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 65031162
N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 62902953
2,2-dimethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide
CID 106911188
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide
CID 79768373
N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60824032
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-1H-imidazole-5-sulfonamide
CID 68948836
N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
CID 104847766
N-[4-(1H-imidazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 84512772
N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 114296143
N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide
CID 71271553
N-(5-bromo-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823723

Frequently Asked Questions

What is the IUPAC name of N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide (CID 106911204) is N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide is CC(C)NCc1ccc(NS(=O)(=O)c2cnc[nH]2)cc1.
What is the InChIKey of N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide?
The InChIKey is ZOHJUNVONVCLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10(2)15-7-11-3-5-12(6-4-11)17-20(18,19)13-8-14-9-16-13/h3-6,8-10,15,17H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide?
N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106911204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).