N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide

C15H23ClN2O3S — CID 35825092

IUPACN-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCCCN(CC)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O3S/c1-3-5-11-18(4-2)15(19)9-10-17-22(20,21)14-8-6-7-13(16)12-14/h6-8,12,17H,3-5,9-11H2,1-2H3
InChIKeyXXQLSWGFLDJVOE-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.66
Rot. Bonds9

About N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide

N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 35825092) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound NameN-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID35825092
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCCCN(CC)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O3S/c1-3-5-11-18(4-2)15(19)9-10-17-22(20,21)14-8-6-7-13(16)12-14/h6-8,12,17H,3-5,9-11H2,1-2H3
InChIKeyXXQLSWGFLDJVOE-UHFFFAOYSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
CID 31443271
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CID 51125196
3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide
CID 46515955
3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 78797988
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
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N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 31182434
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 31152143
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
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3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide (CID 35825092) is N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide is CCCCN(CC)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is XXQLSWGFLDJVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-3-5-11-18(4-2)15(19)9-10-17-22(20,21)14-8-6-7-13(16)12-14/h6-8,12,17H,3-5,9-11H2,1-2H3.
What are the key properties of N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide?
N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 346.88 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 35825092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).