N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide

C18H23ClN2O4S2 — CID 51557458

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1Cl
InChIInChI=1S/C18H23ClN2O4S2/c1-5-21(6-2)27(24,25)18-12-15(8-9-16(18)19)20-26(22,23)17-10-7-13(3)11-14(17)4/h7-12,20H,5-6H2,1-4H3
InChIKeyJFGGBNRKZHBVEE-UHFFFAOYSA-N
MW430.98 g/mol
LogP3.79
Rot. Bonds7

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 51557458) has the molecular formula C18H23ClN2O4S2 and a molecular weight of 430.98 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide
PubChem CID51557458
Molecular FormulaC18H23ClN2O4S2
Molecular Weight430.98 g/mol
Exact Mass430.08
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1Cl
InChIInChI=1S/C18H23ClN2O4S2/c1-5-21(6-2)27(24,25)18-12-15(8-9-16(18)19)20-26(22,23)17-10-7-13(3)11-14(17)4/h7-12,20H,5-6H2,1-4H3
InChIKeyJFGGBNRKZHBVEE-UHFFFAOYSA-N
XLogP3.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22775100
2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide
CID 55365500
5-[(4-chloro-3-nitrophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 26970860
ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
CID 60534888
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
4-chloro-N-[4-(diethylsulfamoyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4551872
3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide
CID 55379596
5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 35748604
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119679906
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807
2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]pentanamide
CID 119266241

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide (CID 51557458) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is JFGGBNRKZHBVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4S2/c1-5-21(6-2)27(24,25)18-12-15(8-9-16(18)19)20-26(22,23)17-10-7-13(3)11-14(17)4/h7-12,20H,5-6H2,1-4H3.
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 430.98 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 51557458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).