N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide

C20H18ClNO3S — CID 46190986

IUPACN-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide
SMILESCc1cc(-c2ccc(Oc3ccccc3)cc2)c(Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C20H18ClNO3S/c1-14-12-18(19(21)13-20(14)22-26(2,23)24)15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-13,22H,1-2H3
InChIKeyUBMYLAJXQVGJLT-UHFFFAOYSA-N
MW387.89 g/mol
LogP5.48
Rot. Bonds5

About N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide

N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide (PubChem CID 46190986) has the molecular formula C20H18ClNO3S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide
PubChem CID46190986
Molecular FormulaC20H18ClNO3S
Molecular Weight387.89 g/mol
Exact Mass387.07
IUPAC NameN-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide
SMILESCc1cc(-c2ccc(Oc3ccccc3)cc2)c(Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C20H18ClNO3S/c1-14-12-18(19(21)13-20(14)22-26(2,23)24)15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-13,22H,1-2H3
InChIKeyUBMYLAJXQVGJLT-UHFFFAOYSA-N
XLogP5.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.89
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dichloro-2-methylphenyl)methanesulfonamide
CID 22894122
N-[2-(4-methoxyphenyl)phenyl]methanesulfonamide
CID 23508536
N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
CID 10803650
2-(methanesulfonamido)-N-methyl-5-(4-phenoxyphenyl)benzamide;methyl 2-(methanesulfonamido)-5-(4-phenoxyphenyl)benzoate
CID 158921766
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
CID 99949135
N-(3-hydroxyimino-6-phenoxy-1,2-dihydroinden-5-yl)methanesulfonamide;N-(3-oxo-6-phenoxy-1,2-dihydroinden-5-yl)methanesulfonamide
CID 88738505
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107
N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide
CID 46191486
N-[3-[benzyl-[(4-phenoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
CID 18512392
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide?
The IUPAC name of N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide (CID 46190986) is N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide is Cc1cc(-c2ccc(Oc3ccccc3)cc2)c(Cl)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide?
The InChIKey is UBMYLAJXQVGJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3S/c1-14-12-18(19(21)13-20(14)22-26(2,23)24)15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-13,22H,1-2H3.
What are the key properties of N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide?
N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 46190986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).