3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide

C18H21ClN2O3S — CID 68826106

IUPAC3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-21(4-2)18(22)15-7-5-6-14(12-15)13-20-25(23,24)17-10-8-16(19)9-11-17/h5-12,20H,3-4,13H2,1-2H3
InChIKeyMKIORABBKGKDFU-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.30
Rot. Bonds7

About 3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide

3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide (PubChem CID 68826106) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide
PubChem CID68826106
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-21(4-2)18(22)15-7-5-6-14(12-15)13-20-25(23,24)17-10-8-16(19)9-11-17/h5-12,20H,3-4,13H2,1-2H3
InChIKeyMKIORABBKGKDFU-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide
CID 8897183
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992196
3-[[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]methyl]-N,N-dimethylbenzamide
CID 166255880
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
CID 53195616
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 8815309
3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 55438061
methyl 3-[[(4-phenylphenyl)sulfonylamino]methyl]benzoate
CID 68822710
4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride
CID 119960282

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide?
The IUPAC name of 3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide (CID 68826106) is 3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide?
The InChIKey is MKIORABBKGKDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-3-21(4-2)18(22)15-7-5-6-14(12-15)13-20-25(23,24)17-10-8-16(19)9-11-17/h5-12,20H,3-4,13H2,1-2H3.
What are the key properties of 3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide?
3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide has a molecular weight of 380.90 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 68826106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).