N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide

C11H15ClFNO2S — CID 83178892

IUPACN-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)CCCl
InChIInChI=1S/C11H15ClFNO2S/c1-8-3-4-10(13)7-11(8)17(15,16)14-9(2)5-6-12/h3-4,7,9,14H,5-6H2,1-2H3
InChIKeyCDNLADONEQGSTR-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.43
Rot. Bonds5

About N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide

N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 83178892) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID83178892
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC NameN-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)CCCl
InChIInChI=1S/C11H15ClFNO2S/c1-8-3-4-10(13)7-11(8)17(15,16)14-9(2)5-6-12/h3-4,7,9,14H,5-6H2,1-2H3
InChIKeyCDNLADONEQGSTR-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 114294312
N-(1-chloro-4-methylpentan-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 106356414
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
N-(1-bromobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 114298374
(2R)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010727
2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
CID 43631259
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
N-(4-aminobutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 55033374
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
(2S)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173809
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576401

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide (CID 83178892) is N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC(C)CCCl.
What is the InChIKey of N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is CDNLADONEQGSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-8-3-4-10(13)7-11(8)17(15,16)14-9(2)5-6-12/h3-4,7,9,14H,5-6H2,1-2H3.
What are the key properties of N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 279.76 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 83178892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).