2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide

C13H19ClN2O3S — CID 100568601

IUPAC2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-8(2)9(3)15-13(17)11-7-10(5-6-12(11)14)16-20(4,18)19/h5-9,16H,1-4H3,(H,15,17)/t9-/m1/s1
InChIKeyGAUPNHISTFGBFM-SECBINFHSA-N
MW318.83 g/mol
LogP2.49
Rot. Bonds5

About 2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide

2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide (PubChem CID 100568601) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide
PubChem CID100568601
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-8(2)9(3)15-13(17)11-7-10(5-6-12(11)14)16-20(4,18)19/h5-9,16H,1-4H3,(H,15,17)/t9-/m1/s1
InChIKeyGAUPNHISTFGBFM-SECBINFHSA-N
XLogP2.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
CID 30397362
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 93487152
5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92742810
2-chloro-N-(3-methylbutan-2-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133250022
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methanesulfonamido)benzamide
CID 133230407
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
CID 92675184
2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
CID 53283791
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711
2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43915949

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide (CID 100568601) is 2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide is CC(C)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide?
The InChIKey is GAUPNHISTFGBFM-SECBINFHSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-8(2)9(3)15-13(17)11-7-10(5-6-12(11)14)16-20(4,18)19/h5-9,16H,1-4H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide?
2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide has a molecular weight of 318.83 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 100568601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).