1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride

C28H27ClN6O4S2 — CID 54601103

IUPAC1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(C2=NCCN2)cc1)c1ccc2c(S(=O)(=O)Nc3ccc(C4=NCCN4)cc3)cccc2c1
InChIInChI=1S/C28H26N6O4S2.ClH/c35-39(36,33-22-8-4-19(5-9-22)27-29-14-15-30-27)24-12-13-25-21(18-24)2-1-3-26(25)40(37,38)34-23-10-6-20(7-11-23)28-31-16-17-32-28;/h1-13,18,33-34H,14-17H2,(H,29,30)(H,31,32);1H
InChIKeyTXDMQXDSPBMGQD-UHFFFAOYSA-N
MW611.15 g/mol
LogP3.56
Rot. Bonds8

About 1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride

1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride (PubChem CID 54601103) has the molecular formula C28H27ClN6O4S2 and a molecular weight of 611.15 g/mol. Its IUPAC name is 1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride.

Molecular Properties

Compound Name1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride
PubChem CID54601103
Molecular FormulaC28H27ClN6O4S2
Molecular Weight611.15 g/mol
Exact Mass610.12
IUPAC Name1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(C2=NCCN2)cc1)c1ccc2c(S(=O)(=O)Nc3ccc(C4=NCCN4)cc3)cccc2c1
InChIInChI=1S/C28H26N6O4S2.ClH/c35-39(36,33-22-8-4-19(5-9-22)27-29-14-15-30-27)24-12-13-25-21(18-24)2-1-3-26(25)40(37,38)34-23-10-6-20(7-11-23)28-31-16-17-32-28;/h1-13,18,33-34H,14-17H2,(H,29,30)(H,31,32);1H
InChIKeyTXDMQXDSPBMGQD-UHFFFAOYSA-N
XLogP3.56
TPSA141.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.15
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride 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

4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide
CID 82240327
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 82252428
N-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 82252971
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;methanesulfonic acid
CID 76853602
2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82249387
N-phenylnaphthalene-1-sulfonamide
CID 3816137
2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 158320426
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 76853603
5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride
CID 44533514
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408
2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131880616

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride?
The IUPAC name of 1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride (CID 54601103) is 1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride.
What is the SMILES notation for 1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride?
The canonical SMILES for 1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc(C2=NCCN2)cc1)c1ccc2c(S(=O)(=O)Nc3ccc(C4=NCCN4)cc3)cccc2c1.
What is the InChIKey of 1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride?
The InChIKey is TXDMQXDSPBMGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O4S2.ClH/c35-39(36,33-22-8-4-19(5-9-22)27-29-14-15-30-27)24-12-13-25-21(18-24)2-1-3-26(25)40(37,38)34-23-10-6-20(7-11-23)28-31-16-17-32-28;/h1-13,18,33-34H,14-17H2,(H,29,30)(H,31,32);1H.
What are the key properties of 1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride?
1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride has a molecular weight of 611.15 g/mol, XLogP of 3.56, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride is sourced from PubChem (CID 54601103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).