3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide

C14H13Cl2NO3S — CID 37476599

IUPAC3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c1-20-14-7-6-12(8-13(14)16)21(18,19)17-9-10-2-4-11(15)5-3-10/h2-8,17H,9H2,1H3
InChIKeyTYJWZNQVQGAEGP-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.48
Rot. Bonds5

About 3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide

3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 37476599) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
PubChem CID37476599
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c1-20-14-7-6-12(8-13(14)16)21(18,19)17-9-10-2-4-11(15)5-3-10/h2-8,17H,9H2,1H3
InChIKeyTYJWZNQVQGAEGP-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 87033023
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248763
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
3-chloro-4-methoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
CID 53278352
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782247
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide (CID 37476599) is 3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is TYJWZNQVQGAEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-20-14-7-6-12(8-13(14)16)21(18,19)17-9-10-2-4-11(15)5-3-10/h2-8,17H,9H2,1H3.
What are the key properties of 3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 37476599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).