4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide

C12H18ClNO2S — CID 87610028

IUPAC4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-4-9(2)10(3)14-17(15,16)12-7-5-11(13)6-8-12/h5-10,14H,4H2,1-3H3
InChIKeySSKMRYAAYWMYIK-UHFFFAOYSA-N
MW275.80 g/mol
LogP3.05
Rot. Bonds5

About 4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide

4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 87610028) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
PubChem CID87610028
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-4-9(2)10(3)14-17(15,16)12-7-5-11(13)6-8-12/h5-10,14H,4H2,1-3H3
InChIKeySSKMRYAAYWMYIK-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54955559
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312
[(2R,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentyl] sulfate;hydron
CID 87650139
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
4-[2-(methylamino)ethoxy]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053680
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574
2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
CID 54950253
N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54955517
2-[4-(3-methylpentan-2-ylsulfamoyl)phenyl]ethanethioamide
CID 79186045
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61464027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide (CID 87610028) is 4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide is CCC(C)C(C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is SSKMRYAAYWMYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-4-9(2)10(3)14-17(15,16)12-7-5-11(13)6-8-12/h5-10,14H,4H2,1-3H3.
What are the key properties of 4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide?
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 275.80 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 87610028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).