N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide

C16H18N4O2S2 — CID 11175906

IUPACN-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C16H18N4O2S2/c1-24(21,22)20-13-4-8-15(9-5-13)23-14-6-2-12(3-7-14)19-16-17-10-11-18-16/h2-9,20H,10-11H2,1H3,(H2,17,18,19)
InChIKeyYMNXNKSMJMDKPY-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.58
Rot. Bonds5

About N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide

N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide (PubChem CID 11175906) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide
PubChem CID11175906
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C16H18N4O2S2/c1-24(21,22)20-13-4-8-15(9-5-13)23-14-6-2-12(3-7-14)19-16-17-10-11-18-16/h2-9,20H,10-11H2,1H3,(H2,17,18,19)
InChIKeyYMNXNKSMJMDKPY-UHFFFAOYSA-N
XLogP2.58
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide (CID 11175906) is N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide?
The InChIKey is YMNXNKSMJMDKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-24(21,22)20-13-4-8-15(9-5-13)23-14-6-2-12(3-7-14)19-16-17-10-11-18-16/h2-9,20H,10-11H2,1H3,(H2,17,18,19).
What are the key properties of N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide?
N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide is sourced from PubChem (CID 11175906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).