2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

C19H26N2O4S2 — CID 55464498

IUPAC2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C19H26N2O4S2/c1-14(2)21-26(22,23)13-18-9-7-17(8-10-18)12-20-27(24,25)19-11-15(3)5-6-16(19)4/h5-11,14,20-21H,12-13H2,1-4H3
InChIKeyQJMDZAHFBSFITN-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.61
Rot. Bonds8

About 2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 55464498) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID55464498
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC Name2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C19H26N2O4S2/c1-14(2)21-26(22,23)13-18-9-7-17(8-10-18)12-20-27(24,25)19-11-15(3)5-6-16(19)4/h5-11,14,20-21H,12-13H2,1-4H3
InChIKeyQJMDZAHFBSFITN-UHFFFAOYSA-N
XLogP2.61
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 47015636
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55904772
2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730588
4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 24563832
2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132655966
3-(2,5-dimethylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 29290670
5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 34050535
4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 91669643
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
CID 18156175

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (CID 55464498) is 2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is QJMDZAHFBSFITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-14(2)21-26(22,23)13-18-9-7-17(8-10-18)12-20-27(24,25)19-11-15(3)5-6-16(19)4/h5-11,14,20-21H,12-13H2,1-4H3.
What are the key properties of 2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 410.56 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55464498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).