2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide

C10H11Cl2NO3S — CID 70931275

IUPAC2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cc(S(=O)(=O)NC)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO3S/c1-3-9(14)6-4-10(17(15,16)13-2)8(12)5-7(6)11/h4-5,13H,3H2,1-2H3
InChIKeyRCWDAYCMELCOQL-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.49
Rot. Bonds4

About 2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide

2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide (PubChem CID 70931275) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide
PubChem CID70931275
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cc(S(=O)(=O)NC)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO3S/c1-3-9(14)6-4-10(17(15,16)13-2)8(12)5-7(6)11/h4-5,13H,3H2,1-2H3
InChIKeyRCWDAYCMELCOQL-UHFFFAOYSA-N
XLogP2.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide
CID 70931222
5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 58727951
4-chloro-N-cyclopropyl-2-fluoro-5-propanoylbenzenesulfonamide
CID 70931223
N-tert-butyl-4-chloro-3-propanoylbenzenesulfonamide
CID 70967988
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2-chloro-5-(methylsulfamoyl)-4-(trifluoromethyl)benzoic acid
CID 154231211
2,4-dichloro-5-(hexylsulfamoyl)benzoic acid
CID 43237922
2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 65108091
CID 87791047
CID 87791047
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65107865

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide (CID 70931275) is 2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide is CCC(=O)c1cc(S(=O)(=O)NC)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide?
The InChIKey is RCWDAYCMELCOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c1-3-9(14)6-4-10(17(15,16)13-2)8(12)5-7(6)11/h4-5,13H,3H2,1-2H3.
What are the key properties of 2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide?
2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide has a molecular weight of 296.18 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide is sourced from PubChem (CID 70931275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).