2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

C14H18N4O2S — CID 106069321

IUPAC2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1ccccc1CNC1CC1
InChIInChI=1S/C14H18N4O2S/c19-21(20,18-10-14-15-7-8-16-14)13-4-2-1-3-11(13)9-17-12-5-6-12/h1-4,7-8,12,17-18H,5-6,9-10H2,(H,15,16)
InChIKeyMODOLRDPHPYMQL-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.14
Rot. Bonds7

About 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (PubChem CID 106069321) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
PubChem CID106069321
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1ccccc1CNC1CC1
InChIInChI=1S/C14H18N4O2S/c19-21(20,18-10-14-15-7-8-16-14)13-4-2-1-3-11(13)9-17-12-5-6-12/h1-4,7-8,12,17-18H,5-6,9-10H2,(H,15,16)
InChIKeyMODOLRDPHPYMQL-UHFFFAOYSA-N
XLogP1.14
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069257
2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424008
N-[2-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106085257
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
CID 106024752
3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64532116
2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide
CID 106084170
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide
CID 106069339
2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063690
2-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106055884
2-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64525744
4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 62320916
1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 64530642

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (CID 106069321) is 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ncc[nH]1)c1ccccc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is MODOLRDPHPYMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-21(20,18-10-14-15-7-8-16-14)13-4-2-1-3-11(13)9-17-12-5-6-12/h1-4,7-8,12,17-18H,5-6,9-10H2,(H,15,16).
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106069321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).