N-(4,5-dichloro-2-methylphenyl)methanesulfonamide

C8H9Cl2NO2S — CID 22894122

IUPACN-(4,5-dichloro-2-methylphenyl)methanesulfonamide
SMILESCc1cc(Cl)c(Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C8H9Cl2NO2S/c1-5-3-6(9)7(10)4-8(5)11-14(2,12)13/h3-4,11H,1-2H3
InChIKeyQHNHUFNJPVPZTK-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.67
Rot. Bonds2

About N-(4,5-dichloro-2-methylphenyl)methanesulfonamide

N-(4,5-dichloro-2-methylphenyl)methanesulfonamide (PubChem CID 22894122) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is N-(4,5-dichloro-2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4,5-dichloro-2-methylphenyl)methanesulfonamide
PubChem CID22894122
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC NameN-(4,5-dichloro-2-methylphenyl)methanesulfonamide
SMILESCc1cc(Cl)c(Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C8H9Cl2NO2S/c1-5-3-6(9)7(10)4-8(5)11-14(2,12)13/h3-4,11H,1-2H3
InChIKeyQHNHUFNJPVPZTK-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2,5-dimethylphenyl)methanesulfonamide
CID 103144685
N-[5-chloro-2-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide
CID 46190986
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]methanesulfonamide
CID 17381718
N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide
CID 89245904
N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide
CID 22719137
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-(2,5-dimethyl-4-pyridinyl)methanesulfonamide
CID 126987931
1-chloro-4,5-dimethyl-2-methylsulfonylbenzene
CID 22101507
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795
N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(4,5-dichloro-2-methylphenyl)methanesulfonamide (CID 22894122) is N-(4,5-dichloro-2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4,5-dichloro-2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(4,5-dichloro-2-methylphenyl)methanesulfonamide is Cc1cc(Cl)c(Cl)cc1NS(C)(=O)=O.
What is the InChIKey of N-(4,5-dichloro-2-methylphenyl)methanesulfonamide?
The InChIKey is QHNHUFNJPVPZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c1-5-3-6(9)7(10)4-8(5)11-14(2,12)13/h3-4,11H,1-2H3.
What are the key properties of N-(4,5-dichloro-2-methylphenyl)methanesulfonamide?
N-(4,5-dichloro-2-methylphenyl)methanesulfonamide has a molecular weight of 254.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 22894122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).