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

C13H19ClN2O3S — CID 30397362

IUPAC2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-4-5-9(2)15-13(17)11-8-10(6-7-12(11)14)16-20(3,18)19/h6-9,16H,4-5H2,1-3H3,(H,15,17)/t9-/m1/s1
InChIKeyUQLQOKCZMPJYOJ-SECBINFHSA-N
MW318.83 g/mol
LogP2.63
Rot. Bonds6

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

2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide (PubChem CID 30397362) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
PubChem CID30397362
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-4-5-9(2)15-13(17)11-8-10(6-7-12(11)14)16-20(3,18)19/h6-9,16H,4-5H2,1-3H3,(H,15,17)/t9-/m1/s1
InChIKeyUQLQOKCZMPJYOJ-SECBINFHSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100568601
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
CID 92675184
2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 93487152
N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide
CID 43708281
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
2-chloro-5-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 38000460
2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43915949
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
2-chloro-N-pentan-2-yl-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 43019696
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711
2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
CID 43706825

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide?
The IUPAC name of 2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide (CID 30397362) is 2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide?
The canonical SMILES for 2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide is CCC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide?
The InChIKey is UQLQOKCZMPJYOJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-4-5-9(2)15-13(17)11-8-10(6-7-12(11)14)16-20(3,18)19/h6-9,16H,4-5H2,1-3H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide?
2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide has a molecular weight of 318.83 g/mol, XLogP of 2.63, 6 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)-pentan-2-yl]benzamide is sourced from PubChem (CID 30397362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).