N-benzyl-5-chloro-2-ethoxybenzenesulfonamide

C15H16ClNO3S — CID 2992012

IUPACN-benzyl-5-chloro-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H16ClNO3S/c1-2-20-14-9-8-13(16)10-15(14)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChIKeyILZJMQRUSLVKNL-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.22
Rot. Bonds6

About N-benzyl-5-chloro-2-ethoxybenzenesulfonamide

N-benzyl-5-chloro-2-ethoxybenzenesulfonamide (PubChem CID 2992012) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-benzyl-5-chloro-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-2-ethoxybenzenesulfonamide
PubChem CID2992012
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-benzyl-5-chloro-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H16ClNO3S/c1-2-20-14-9-8-13(16)10-15(14)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChIKeyILZJMQRUSLVKNL-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide
CID 2234187
5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 166396302
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
CID 118729548
2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
CID 3832816
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 43890925
5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide
CID 5017100
N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117943
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
CID 43890974

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-2-ethoxybenzenesulfonamide?
The IUPAC name of N-benzyl-5-chloro-2-ethoxybenzenesulfonamide (CID 2992012) is N-benzyl-5-chloro-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-chloro-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-5-chloro-2-ethoxybenzenesulfonamide is CCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-chloro-2-ethoxybenzenesulfonamide?
The InChIKey is ILZJMQRUSLVKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-2-20-14-9-8-13(16)10-15(14)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3.
What are the key properties of N-benzyl-5-chloro-2-ethoxybenzenesulfonamide?
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 2992012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).