4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide

C16H24N4O4S2 — CID 42962092

IUPAC4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nccn1C
InChIInChI=1S/C16H24N4O4S2/c1-12(2)15(16-17-10-11-20(16)5)18-25(21,22)13-6-8-14(9-7-13)26(23,24)19(3)4/h6-12,15,18H,1-5H3
InChIKeyUHHJEKUCNHLBRU-UHFFFAOYSA-N
MW400.53 g/mol
LogP1.35
Rot. Bonds7

About 4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide

4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide (PubChem CID 42962092) has the molecular formula C16H24N4O4S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide
PubChem CID42962092
Molecular FormulaC16H24N4O4S2
Molecular Weight400.53 g/mol
Exact Mass400.12
IUPAC Name4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nccn1C
InChIInChI=1S/C16H24N4O4S2/c1-12(2)15(16-17-10-11-20(16)5)18-25(21,22)13-6-8-14(9-7-13)26(23,24)19(3)4/h6-12,15,18H,1-5H3
InChIKeyUHHJEKUCNHLBRU-UHFFFAOYSA-N
XLogP1.35
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide with MolForge

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Related Compounds

N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436818
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436817
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
1-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 24541093
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide
CID 125445339
2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 47164910
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 40939712
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 18109066
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46696472
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 55627297

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide (CID 42962092) is 4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide is CC(C)C(NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nccn1C.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide?
The InChIKey is UHHJEKUCNHLBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S2/c1-12(2)15(16-17-10-11-20(16)5)18-25(21,22)13-6-8-14(9-7-13)26(23,24)19(3)4/h6-12,15,18H,1-5H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide?
4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide has a molecular weight of 400.53 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 42962092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).