2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide

C16H18ClNO5S — CID 8819063

IUPAC2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO5S/c1-21-13-9-15(23-3)14(22-2)8-11(13)10-18-24(19,20)16-7-5-4-6-12(16)17/h4-9,18H,10H2,1-3H3
InChIKeyCJCXCPCQHLDMQT-UHFFFAOYSA-N
MW371.84 g/mol
LogP2.84
Rot. Bonds7

About 2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide

2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 8819063) has the molecular formula C16H18ClNO5S and a molecular weight of 371.84 g/mol. Its IUPAC name is 2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID8819063
Molecular FormulaC16H18ClNO5S
Molecular Weight371.84 g/mol
Exact Mass371.06
IUPAC Name2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO5S/c1-21-13-9-15(23-3)14(22-2)8-11(13)10-18-24(19,20)16-7-5-4-6-12(16)17/h4-9,18H,10H2,1-3H3
InChIKeyCJCXCPCQHLDMQT-UHFFFAOYSA-N
XLogP2.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110783185
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
2-chloro-N-[[4-(methoxymethyl)phenyl]methyl]benzenesulfonamide
CID 34263580
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 113090921
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319996
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928
N-[(3-aminophenyl)methyl]-2-chlorobenzenesulfonamide
CID 43593530
N-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112998391
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide (CID 8819063) is 2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide is COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is CJCXCPCQHLDMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO5S/c1-21-13-9-15(23-3)14(22-2)8-11(13)10-18-24(19,20)16-7-5-4-6-12(16)17/h4-9,18H,10H2,1-3H3.
What are the key properties of 2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 371.84 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 8819063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).