N,2-dimethyl-5-propanoylbenzenesulfonamide

C11H15NO3S — CID 82044488

IUPACN,2-dimethyl-5-propanoylbenzenesulfonamide
SMILESCCC(=O)c1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C11H15NO3S/c1-4-10(13)9-6-5-8(2)11(7-9)16(14,15)12-3/h5-7,12H,4H2,1-3H3
InChIKeyOWONSEWNTGXWPY-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.50
Rot. Bonds4

About N,2-dimethyl-5-propanoylbenzenesulfonamide

N,2-dimethyl-5-propanoylbenzenesulfonamide (PubChem CID 82044488) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N,2-dimethyl-5-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-propanoylbenzenesulfonamide
PubChem CID82044488
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN,2-dimethyl-5-propanoylbenzenesulfonamide
SMILESCCC(=O)c1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C11H15NO3S/c1-4-10(13)9-6-5-8(2)11(7-9)16(14,15)12-3/h5-7,12H,4H2,1-3H3
InChIKeyOWONSEWNTGXWPY-UHFFFAOYSA-N
XLogP1.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
5-acetyl-2-methyl-N-propylbenzenesulfonamide
CID 39357440
4-ethyl-3-(methylsulfamoyl)benzoic acid
CID 43311481
5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide
CID 39366211
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 64550339
N-butyl-2-chloro-5-propanoylbenzenesulfonamide
CID 39431604
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-4-methylbenzoic acid
CID 106168429
3-(hydrazinesulfonyl)-4-methylbenzoic acid
CID 12639642
4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214879
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(2-methylpropyl)benzamide
CID 9107411
ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120709189

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-propanoylbenzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-propanoylbenzenesulfonamide (CID 82044488) is N,2-dimethyl-5-propanoylbenzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-propanoylbenzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-propanoylbenzenesulfonamide is CCC(=O)c1ccc(C)c(S(=O)(=O)NC)c1.
What is the InChIKey of N,2-dimethyl-5-propanoylbenzenesulfonamide?
The InChIKey is OWONSEWNTGXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-4-10(13)9-6-5-8(2)11(7-9)16(14,15)12-3/h5-7,12H,4H2,1-3H3.
What are the key properties of N,2-dimethyl-5-propanoylbenzenesulfonamide?
N,2-dimethyl-5-propanoylbenzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-propanoylbenzenesulfonamide is sourced from PubChem (CID 82044488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).