5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide

C16H20N2O4S2 — CID 8513731

IUPAC5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H20N2O4S2/c1-13-9-10-15(11-16(13)24(21,22)18(2)3)17-23(19,20)12-14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3
InChIKeyBYLUWHRHKPEFNR-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.19
Rot. Bonds6

About 5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide

5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide (PubChem CID 8513731) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide
PubChem CID8513731
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H20N2O4S2/c1-13-9-10-15(11-16(13)24(21,22)18(2)3)17-23(19,20)12-14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3
InChIKeyBYLUWHRHKPEFNR-UHFFFAOYSA-N
XLogP2.19
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119263742
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide
CID 4878108
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
CID 6457501
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 62735221
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 5021993
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide?
The IUPAC name of 5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide (CID 8513731) is 5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide?
The canonical SMILES for 5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide?
The InChIKey is BYLUWHRHKPEFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-13-9-10-15(11-16(13)24(21,22)18(2)3)17-23(19,20)12-14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3.
What are the key properties of 5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide?
5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide is sourced from PubChem (CID 8513731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).