N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide

C21H20ClNO3S — CID 155154126

IUPACN-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1OCc1cccc(NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C21H20ClNO3S/c1-15-6-3-4-9-21(15)27(24,25)23-19-8-5-7-17(13-19)14-26-20-11-10-18(22)12-16(20)2/h3-13,23H,14H2,1-2H3
InChIKeyCUJYNDOKARPYIL-UHFFFAOYSA-N
MW401.92 g/mol
LogP5.34
Rot. Bonds6

About N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide

N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide (PubChem CID 155154126) has the molecular formula C21H20ClNO3S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide
PubChem CID155154126
Molecular FormulaC21H20ClNO3S
Molecular Weight401.92 g/mol
Exact Mass401.09
IUPAC NameN-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1OCc1cccc(NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C21H20ClNO3S/c1-15-6-3-4-9-21(15)27(24,25)23-19-8-5-7-17(13-19)14-26-20-11-10-18(22)12-16(20)2/h3-13,23H,14H2,1-2H3
InChIKeyCUJYNDOKARPYIL-UHFFFAOYSA-N
XLogP5.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.92
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 87026734
5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 100562486
4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide
CID 43342532
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 60520999
N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide
CID 11754161
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125531
3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
CID 15943963
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide (CID 155154126) is N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1OCc1cccc(NS(=O)(=O)c2ccccc2C)c1.
What is the InChIKey of N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide?
The InChIKey is CUJYNDOKARPYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3S/c1-15-6-3-4-9-21(15)27(24,25)23-19-8-5-7-17(13-19)14-26-20-11-10-18(22)12-16(20)2/h3-13,23H,14H2,1-2H3.
What are the key properties of N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide?
N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide has a molecular weight of 401.92 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 155154126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).