N-benzyl-5-chloro-2-methoxybenzenesulfonamide

C14H14ClNO3S — CID 801444

IUPACN-benzyl-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C14H14ClNO3S/c1-19-13-8-7-12(15)9-14(13)20(17,18)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyKEUCPHXRWUUZCH-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.83
Rot. Bonds5

About N-benzyl-5-chloro-2-methoxybenzenesulfonamide

N-benzyl-5-chloro-2-methoxybenzenesulfonamide (PubChem CID 801444) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-benzyl-5-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-2-methoxybenzenesulfonamide
PubChem CID801444
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-benzyl-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C14H14ClNO3S/c1-19-13-8-7-12(15)9-14(13)20(17,18)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyKEUCPHXRWUUZCH-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide
CID 5017100
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
N-benzyl-5-iodo-2-methoxybenzenesulfonamide
CID 1325962
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528
5-chloro-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3794261
1-benzyl-3-(5-chloro-2-methoxyphenyl)sulfonylthiourea
CID 118729553
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-5-chloro-2-methoxybenzenesulfonamide (CID 801444) is N-benzyl-5-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-5-chloro-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-chloro-2-methoxybenzenesulfonamide?
The InChIKey is KEUCPHXRWUUZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-19-13-8-7-12(15)9-14(13)20(17,18)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3.
What are the key properties of N-benzyl-5-chloro-2-methoxybenzenesulfonamide?
N-benzyl-5-chloro-2-methoxybenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.83, 5 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-methoxybenzenesulfonamide is sourced from PubChem (CID 801444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).