N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide

C17H22N2O4S2 — CID 110299349

IUPACN,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C17H22N2O4S2/c1-14-5-4-6-16(13-14)18-24(20,21)12-11-15-7-9-17(10-8-15)25(22,23)19(2)3/h4-10,13,18H,11-12H2,1-3H3
InChIKeyYURVDZSCJQJIMF-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.23
Rot. Bonds7

About N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide

N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide (PubChem CID 110299349) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
PubChem CID110299349
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C17H22N2O4S2/c1-14-5-4-6-16(13-14)18-24(20,21)12-11-15-7-9-17(10-8-15)25(22,23)19(2)3/h4-10,13,18H,11-12H2,1-3H3
InChIKeyYURVDZSCJQJIMF-UHFFFAOYSA-N
XLogP2.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
CID 110299350
2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
CID 110673807
3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
CID 146534327
4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
CID 39436095
3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid
CID 43361776
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide
CID 110299331
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide
CID 43341117
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide
CID 30257983
N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide (CID 110299349) is N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide is Cc1cccc(NS(=O)(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide?
The InChIKey is YURVDZSCJQJIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-14-5-4-6-16(13-14)18-24(20,21)12-11-15-7-9-17(10-8-15)25(22,23)19(2)3/h4-10,13,18H,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide?
N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110299349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).