4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide

C17H21ClN2O4S2 — CID 8815309

IUPAC4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H21ClN2O4S2/c1-3-20(4-2)26(23,24)17-9-5-14(6-10-17)13-19-25(21,22)16-11-7-15(18)8-12-16/h5-12,19H,3-4,13H2,1-2H3
InChIKeyOGNAFQFLNKXEKM-UHFFFAOYSA-N
MW416.95 g/mol
LogP2.85
Rot. Bonds8

About 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide

4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide (PubChem CID 8815309) has the molecular formula C17H21ClN2O4S2 and a molecular weight of 416.95 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
PubChem CID8815309
Molecular FormulaC17H21ClN2O4S2
Molecular Weight416.95 g/mol
Exact Mass416.06
IUPAC Name4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H21ClN2O4S2/c1-3-20(4-2)26(23,24)17-9-5-14(6-10-17)13-19-25(21,22)16-11-7-15(18)8-12-16/h5-12,19H,3-4,13H2,1-2H3
InChIKeyOGNAFQFLNKXEKM-UHFFFAOYSA-N
XLogP2.85
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 28536185
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946
1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 55473112
4-[(4-chlorophenyl)methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 26455517
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide (CID 8815309) is 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is OGNAFQFLNKXEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S2/c1-3-20(4-2)26(23,24)17-9-5-14(6-10-17)13-19-25(21,22)16-11-7-15(18)8-12-16/h5-12,19H,3-4,13H2,1-2H3.
What are the key properties of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide?
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 416.95 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 8815309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).