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

C17H22N2O4S2 — CID 110299350

IUPACN,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-14-4-8-16(9-5-14)18-24(20,21)13-12-15-6-10-17(11-7-15)25(22,23)19(2)3/h4-11,18H,12-13H2,1-3H3
InChIKeySKUNFUROOMBHOO-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.23
Rot. Bonds7

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

N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide (PubChem CID 110299350) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
PubChem CID110299350
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-14-4-8-16(9-5-14)18-24(20,21)13-12-15-6-10-17(11-7-15)25(22,23)19(2)3/h4-11,18H,12-13H2,1-3H3
InChIKeySKUNFUROOMBHOO-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-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
CID 110299349
2-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethanesulfonamide
CID 110673808
N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide
CID 110299331
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
CID 94685063
1-methyl-4-[2-[2-(4-methylphenyl)ethylsulfonyl]ethyl]benzene
CID 70410777
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
N-[4-[(dimethylamino)methyl]phenyl]propane-1-sulfonamide
CID 64585715
N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide
CID 1306381
N,N-dimethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60721671

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide (CID 110299350) is N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide?
The InChIKey is SKUNFUROOMBHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-14-4-8-16(9-5-14)18-24(20,21)13-12-15-6-10-17(11-7-15)25(22,23)19(2)3/h4-11,18H,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide?
N,N-dimethyl-4-[2-[(4-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-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110299350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).