N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide

C11H15ClN2O3S — CID 104667456

IUPACN-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O3S/c1-6-4-9(13)8(12)5-10(6)14-11(15)7(2)18(3,16)17/h4-5,7H,13H2,1-3H3,(H,14,15)
InChIKeyUIDVRBPNMMHAIG-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.60
Rot. Bonds3

About N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide

N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide (PubChem CID 104667456) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide
PubChem CID104667456
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O3S/c1-6-4-9(13)8(12)5-10(6)14-11(15)7(2)18(3,16)17/h4-5,7H,13H2,1-3H3,(H,14,15)
InChIKeyUIDVRBPNMMHAIG-UHFFFAOYSA-N
XLogP1.60
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
CID 94024925
N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide
CID 11630154
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 104667623
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
5-chloro-2-methoxy-4-(2-methylsulfonylpropanoylamino)benzoic acid
CID 104517466
(E)-3-[3-methyl-4-(2-methylsulfonylpropanoylamino)phenyl]prop-2-enoic acid
CID 104521958
N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide
CID 112690775
N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide (CID 104667456) is N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide is Cc1cc(N)c(Cl)cc1NC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide?
The InChIKey is UIDVRBPNMMHAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-6-4-9(13)8(12)5-10(6)14-11(15)7(2)18(3,16)17/h4-5,7H,13H2,1-3H3,(H,14,15).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide?
N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide has a molecular weight of 290.77 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 104667456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).