4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide

C14H21ClN2O3S — CID 95592917

IUPAC4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(C)C
InChIInChI=1S/C14H21ClN2O3S/c1-5-12(9(2)3)16-14(18)10-6-7-11(15)13(8-10)17-21(4,19)20/h6-9,12,17H,5H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyBBPGKHCTEVNDSV-GFCCVEGCSA-N
MW332.85 g/mol
LogP2.88
Rot. Bonds6

About 4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide

4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide (PubChem CID 95592917) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide
PubChem CID95592917
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(C)C
InChIInChI=1S/C14H21ClN2O3S/c1-5-12(9(2)3)16-14(18)10-6-7-11(15)13(8-10)17-21(4,19)20/h6-9,12,17H,5H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyBBPGKHCTEVNDSV-GFCCVEGCSA-N
XLogP2.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide
CID 23592519
4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide (CID 95592917) is 4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(C)C.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide?
The InChIKey is BBPGKHCTEVNDSV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-5-12(9(2)3)16-14(18)10-6-7-11(15)13(8-10)17-21(4,19)20/h6-9,12,17H,5H2,1-4H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide?
4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide has a molecular weight of 332.85 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide is sourced from PubChem (CID 95592917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).