N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide

C16H24N4O2S — CID 75426047

IUPACN-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCc2nccn2C)cc1
InChIInChI=1S/C16H24N4O2S/c1-4-5-11-20(3)23(21,22)15-8-6-14(7-9-15)18-13-16-17-10-12-19(16)2/h6-10,12,18H,4-5,11,13H2,1-3H3
InChIKeyHAZUHNUKVQVGJZ-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.45
Rot. Bonds8

About N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide

N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide (PubChem CID 75426047) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
PubChem CID75426047
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCc2nccn2C)cc1
InChIInChI=1S/C16H24N4O2S/c1-4-5-11-20(3)23(21,22)15-8-6-14(7-9-15)18-13-16-17-10-12-19(16)2/h6-10,12,18H,4-5,11,13H2,1-3H3
InChIKeyHAZUHNUKVQVGJZ-UHFFFAOYSA-N
XLogP2.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295569
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664864
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide
CID 110760294
N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 24616632
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol
CID 143391179
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide (CID 75426047) is N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide is CCCCN(C)S(=O)(=O)c1ccc(NCc2nccn2C)cc1.
What is the InChIKey of N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide?
The InChIKey is HAZUHNUKVQVGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-4-5-11-20(3)23(21,22)15-8-6-14(7-9-15)18-13-16-17-10-12-19(16)2/h6-10,12,18H,4-5,11,13H2,1-3H3.
What are the key properties of N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide?
N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 75426047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).