N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide

C11H14N4O2S — CID 62761582

IUPACN-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2cnc[nH]2)cc1
InChIInChI=1S/C11H14N4O2S/c1-18(16,17)15-10-4-2-9(3-5-10)13-7-11-6-12-8-14-11/h2-6,8,13,15H,7H2,1H3,(H,12,14)
InChIKeyNYAYCAQLHHMSIT-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.39
Rot. Bonds5

About N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide

N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide (PubChem CID 62761582) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
PubChem CID62761582
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2cnc[nH]2)cc1
InChIInChI=1S/C11H14N4O2S/c1-18(16,17)15-10-4-2-9(3-5-10)13-7-11-6-12-8-14-11/h2-6,8,13,15H,7H2,1H3,(H,12,14)
InChIKeyNYAYCAQLHHMSIT-UHFFFAOYSA-N
XLogP1.39
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 62761228
N-(1H-imidazol-5-ylmethyl)-4-methylsulfanylaniline
CID 62763159
N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 62741428
methyl N-[4-(1H-imidazol-5-ylmethylamino)phenyl]carbamate
CID 62763549
4-ethoxy-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761547
N-(1H-imidazol-5-ylmethyl)-4-nitroaniline
CID 62761933
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280
N-(1H-imidazol-5-ylmethyl)-4-pentylaniline
CID 55109450
2-[4-(1H-imidazol-5-ylmethylamino)phenyl]-2-methylpropanenitrile
CID 62763178
N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine
CID 62761589
N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
CID 59468746
4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
CID 59728218

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide (CID 62761582) is N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NCc2cnc[nH]2)cc1.
What is the InChIKey of N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide?
The InChIKey is NYAYCAQLHHMSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-18(16,17)15-10-4-2-9(3-5-10)13-7-11-6-12-8-14-11/h2-6,8,13,15H,7H2,1H3,(H,12,14).
What are the key properties of N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide?
N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 62761582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).