5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide

C12H17ClN2O3S — CID 43700341

IUPAC5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)CCCCCl
InChIInChI=1S/C12H17ClN2O3S/c1-19(17,18)15-11-7-3-2-6-10(11)14-12(16)8-4-5-9-13/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,14,16)
InChIKeyOPUHZCDWQPBJOC-UHFFFAOYSA-N
MW304.80 g/mol
LogP2.41
Rot. Bonds7

About 5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide

5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide (PubChem CID 43700341) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide
PubChem CID43700341
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)CCCCCl
InChIInChI=1S/C12H17ClN2O3S/c1-19(17,18)15-11-7-3-2-6-10(11)14-12(16)8-4-5-9-13/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,14,16)
InChIKeyOPUHZCDWQPBJOC-UHFFFAOYSA-N
XLogP2.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide
CID 43710875
4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide
CID 55973897
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
N-(2-tert-butylphenyl)-5-chloropentanamide
CID 43697568
N-[2-(methanesulfonamido)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119704021
2-(5-chloropentanoylamino)benzoic acid
CID 61251047
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
2-(7-chloroheptanoylamino)benzamide
CID 139930503
2-(tert-butylamino)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 78923641
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide (CID 43700341) is 5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide is CS(=O)(=O)Nc1ccccc1NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide?
The InChIKey is OPUHZCDWQPBJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-19(17,18)15-11-7-3-2-6-10(11)14-12(16)8-4-5-9-13/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide?
5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide has a molecular weight of 304.80 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide is sourced from PubChem (CID 43700341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).