N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide

C18H24N2O4S2 — CID 2696950

IUPACN-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-5-20(6-2)26(23,24)17-11-8-16(9-12-17)19-25(21,22)18-10-7-14(3)15(4)13-18/h7-13,19H,5-6H2,1-4H3
InChIKeyLMEULPZHUWOZPJ-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.13
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide

N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 2696950) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
PubChem CID2696950
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-5-20(6-2)26(23,24)17-11-8-16(9-12-17)19-25(21,22)18-10-7-14(3)15(4)13-18/h7-13,19H,5-6H2,1-4H3
InChIKeyLMEULPZHUWOZPJ-UHFFFAOYSA-N
XLogP3.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
CID 43853583
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
N-[4-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65031273
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 5031227
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
CID 112985250
4-chloro-N-[4-(diethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26967231
3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267871

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide (CID 2696950) is N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is LMEULPZHUWOZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-5-20(6-2)26(23,24)17-11-8-16(9-12-17)19-25(21,22)18-10-7-14(3)15(4)13-18/h7-13,19H,5-6H2,1-4H3.
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide?
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2696950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).