2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide

C15H13ClN2O3S — CID 32675605

IUPAC2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCC#N)cc2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3S/c1-11-2-7-15(14(16)10-11)22(19,20)18-12-3-5-13(6-4-12)21-9-8-17/h2-7,10,18H,9H2,1H3
InChIKeyIVLLNGFRJIQQOW-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.35
Rot. Bonds5

About 2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide

2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 32675605) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID32675605
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCC#N)cc2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3S/c1-11-2-7-15(14(16)10-11)22(19,20)18-12-3-5-13(6-4-12)21-9-8-17/h2-7,10,18H,9H2,1H3
InChIKeyIVLLNGFRJIQQOW-UHFFFAOYSA-N
XLogP3.35
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
3-bromo-5-chloro-N-[4-(cyanomethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 31777718
4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 7510434
1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
CID 63664967
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609
2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 32673670
methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 51113035
2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629196
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate
CID 32676711
N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide
CID 62997815

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide (CID 32675605) is 2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(OCC#N)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is IVLLNGFRJIQQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-11-2-7-15(14(16)10-11)22(19,20)18-12-3-5-13(6-4-12)21-9-8-17/h2-7,10,18H,9H2,1H3.
What are the key properties of 2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide?
2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 336.80 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 32675605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).