N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide

C12H16N4O2S — CID 62741428

IUPACN-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1ncc(CNc2ccc(NS(C)(=O)=O)cc2)[nH]1
InChIInChI=1S/C12H16N4O2S/c1-9-13-7-12(15-9)8-14-10-3-5-11(6-4-10)16-19(2,17)18/h3-7,14,16H,8H2,1-2H3,(H,13,15)
InChIKeyONWSFSVIZFMJEL-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.70
Rot. Bonds5

About N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide

N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 62741428) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide
PubChem CID62741428
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1ncc(CNc2ccc(NS(C)(=O)=O)cc2)[nH]1
InChIInChI=1S/C12H16N4O2S/c1-9-13-7-12(15-9)8-14-10-3-5-11(6-4-10)16-19(2,17)18/h3-7,14,16H,8H2,1-2H3,(H,13,15)
InChIKeyONWSFSVIZFMJEL-UHFFFAOYSA-N
XLogP1.70
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-methylsulfonylaniline
CID 62741398
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfonylaniline
CID 62742178
N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 62761582
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 110735545
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline
CID 62743816
6-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyridin-3-amine
CID 62741207
4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62742136
N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 54868652
2-methyl-5-(methylsulfonylmethyl)-1H-imidazole
CID 117191407
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62741215
N-[(2-methyl-1H-imidazol-5-yl)methyl]-9H-fluoren-2-amine
CID 62741958
2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol
CID 62743285

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide (CID 62741428) is N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide is Cc1ncc(CNc2ccc(NS(C)(=O)=O)cc2)[nH]1.
What is the InChIKey of N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is ONWSFSVIZFMJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-13-7-12(15-9)8-14-10-3-5-11(6-4-10)16-19(2,17)18/h3-7,14,16H,8H2,1-2H3,(H,13,15).
What are the key properties of N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide?
N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 62741428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).