N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide

C12H17ClN2O3S — CID 46763289

IUPACN-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide
SMILESCCC(C)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-4-8(2)14-12(16)9-5-6-11(10(13)7-9)15-19(3,17)18/h5-8,15H,4H2,1-3H3,(H,14,16)
InChIKeyYWVROVQPRLMAEP-UHFFFAOYSA-N
MW304.80 g/mol
LogP2.24
Rot. Bonds5

About N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide

N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide (PubChem CID 46763289) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide
PubChem CID46763289
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide
SMILESCCC(C)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-4-8(2)14-12(16)9-5-6-11(10(13)7-9)15-19(3,17)18/h5-8,15H,4H2,1-3H3,(H,14,16)
InChIKeyYWVROVQPRLMAEP-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 93486317
3-chloro-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 38015785
4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide
CID 95592917
4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide
CID 93487479
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 5141734
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
methyl 3-chloro-4-(methanesulfonamido)benzoate
CID 91671526
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
N-butan-2-yl-4-methyl-3-sulfamoylbenzamide
CID 60681995
4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64642824

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide?
The IUPAC name of N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide (CID 46763289) is N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide is CCC(C)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide?
The InChIKey is YWVROVQPRLMAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-4-8(2)14-12(16)9-5-6-11(10(13)7-9)15-19(3,17)18/h5-8,15H,4H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide?
N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide has a molecular weight of 304.80 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 46763289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).