N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide

C14H20N4O2S — CID 62349942

IUPACN-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCc2nccn2CC)cc1
InChIInChI=1S/C14H20N4O2S/c1-3-17-21(19,20)13-7-5-12(6-8-13)16-11-14-15-9-10-18(14)4-2/h5-10,16-17H,3-4,11H2,1-2H3
InChIKeyNRXMPEPOZWZWER-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.81
Rot. Bonds7

About N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide

N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide (PubChem CID 62349942) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
PubChem CID62349942
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCc2nccn2CC)cc1
InChIInChI=1S/C14H20N4O2S/c1-3-17-21(19,20)13-7-5-12(6-8-13)16-11-14-15-9-10-18(14)4-2/h5-10,16-17H,3-4,11H2,1-2H3
InChIKeyNRXMPEPOZWZWER-UHFFFAOYSA-N
XLogP1.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295569
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea
CID 62349759
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 62352245
N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
CID 62350814
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63296118
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 63280983

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide (CID 62349942) is N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCc2nccn2CC)cc1.
What is the InChIKey of N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide?
The InChIKey is NRXMPEPOZWZWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-17-21(19,20)13-7-5-12(6-8-13)16-11-14-15-9-10-18(14)4-2/h5-10,16-17H,3-4,11H2,1-2H3.
What are the key properties of N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide?
N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 62349942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).