4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide

C18H21ClN2O3S — CID 98388271

IUPAC4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-4-21(25(23,24)17-11-9-16(19)10-12-17)13-14-5-7-15(8-6-14)18(22)20(2)3/h5-12H,4,13H2,1-3H3
InChIKeyPAGLLWCOCWZKRV-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.25
Rot. Bonds6

About 4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide

4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 98388271) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide
PubChem CID98388271
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-4-21(25(23,24)17-11-9-16(19)10-12-17)13-14-5-7-15(8-6-14)18(22)20(2)3/h5-12H,4,13H2,1-3H3
InChIKeyPAGLLWCOCWZKRV-UHFFFAOYSA-N
XLogP3.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]benzoic acid
CID 100553237
methyl 4-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]benzoate
CID 26057385
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 26861330
4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 35020823
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1296028
4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512067
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4694815

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide (CID 98388271) is 4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is PAGLLWCOCWZKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-4-21(25(23,24)17-11-9-16(19)10-12-17)13-14-5-7-15(8-6-14)18(22)20(2)3/h5-12H,4,13H2,1-3H3.
What are the key properties of 4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide?
4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 380.90 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 98388271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).