2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide

C11H15ClN2O3S — CID 43695768

IUPAC2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C(C)Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-7-4-5-9(18(16,17)13-3)6-10(7)14-11(15)8(2)12/h4-6,8,13H,1-3H3,(H,14,15)
InChIKeyKAKFQZFAEARREB-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.47
Rot. Bonds4

About 2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide

2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide (PubChem CID 43695768) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
PubChem CID43695768
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C(C)Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-7-4-5-9(18(16,17)13-3)6-10(7)14-11(15)8(2)12/h4-6,8,13H,1-3H3,(H,14,15)
InChIKeyKAKFQZFAEARREB-UHFFFAOYSA-N
XLogP1.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 61155453
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 106111402
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
methyl 3-[[(2S)-2-chloropropanoyl]amino]-4-methylbenzoate
CID 93262404
2-(ethylamino)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 62831773

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide (CID 43695768) is 2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)C(C)Cl)c1.
What is the InChIKey of 2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is KAKFQZFAEARREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-7-4-5-9(18(16,17)13-3)6-10(7)14-11(15)8(2)12/h4-6,8,13H,1-3H3,(H,14,15).
What are the key properties of 2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide?
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 290.77 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 43695768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).