2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide

C15H15ClN2O4S — CID 15285980

IUPAC2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCl)ccc1Oc1ccccc1
InChIInChI=1S/C15H15ClN2O4S/c1-23(20,21)18-13-9-11(17-15(19)10-16)7-8-14(13)22-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyKWAONJFRNGJKHN-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.03
Rot. Bonds6

About 2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide

2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide (PubChem CID 15285980) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide
PubChem CID15285980
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCl)ccc1Oc1ccccc1
InChIInChI=1S/C15H15ClN2O4S/c1-23(20,21)18-13-9-11(17-15(19)10-16)7-8-14(13)22-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyKWAONJFRNGJKHN-UHFFFAOYSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide
CID 15285981
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
CID 10803650
3-[3-(methanesulfonamido)-4-phenoxyphenoxy]but-2-enoic acid
CID 54030327
4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide
CID 164612899
N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 72725405
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
CID 99949135
2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide
CID 13110151
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide (CID 15285980) is 2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide is CS(=O)(=O)Nc1cc(NC(=O)CCl)ccc1Oc1ccccc1.
What is the InChIKey of 2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide?
The InChIKey is KWAONJFRNGJKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-23(20,21)18-13-9-11(17-15(19)10-16)7-8-14(13)22-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide?
2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide has a molecular weight of 354.82 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide is sourced from PubChem (CID 15285980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).