N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide

C17H22N2O4S2 — CID 2099919

IUPACN-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-4-19(5-2)25(22,23)16-11-9-15(10-12-16)18-24(20,21)17-8-6-7-14(3)13-17/h6-13,18H,4-5H2,1-3H3
InChIKeyRVVZAYATHIMWHH-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.83
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide

N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 2099919) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide
PubChem CID2099919
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-4-19(5-2)25(22,23)16-11-9-15(10-12-16)18-24(20,21)17-8-6-7-14(3)13-17/h6-13,18H,4-5H2,1-3H3
InChIKeyRVVZAYATHIMWHH-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide (CID 2099919) is N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is RVVZAYATHIMWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-4-19(5-2)25(22,23)16-11-9-15(10-12-16)18-24(20,21)17-8-6-7-14(3)13-17/h6-13,18H,4-5H2,1-3H3.
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide?
N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.83, 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-methylbenzenesulfonamide is sourced from PubChem (CID 2099919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).