2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide

C14H22ClNO2S — CID 63202897

IUPAC2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide
SMILESCCCC(Cl)Cc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C14H22ClNO2S/c1-4-7-13(15)10-12-8-5-6-9-14(12)19(17,18)16-11(2)3/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3
InChIKeyUUJOVGJCWLBYKK-UHFFFAOYSA-N
MW303.86 g/mol
LogP3.32
Rot. Bonds7

About 2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide

2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 63202897) has the molecular formula C14H22ClNO2S and a molecular weight of 303.86 g/mol. Its IUPAC name is 2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID63202897
Molecular FormulaC14H22ClNO2S
Molecular Weight303.86 g/mol
Exact Mass303.11
IUPAC Name2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide
SMILESCCCC(Cl)Cc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C14H22ClNO2S/c1-4-7-13(15)10-12-8-5-6-9-14(12)19(17,18)16-11(2)3/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3
InChIKeyUUJOVGJCWLBYKK-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 53.32
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

2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide
CID 63196503
2-dodecyl-N-propan-2-ylbenzenesulfonamide
CID 154161934
2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63198818
2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63199010
2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 62119141
N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106031977
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide
CID 63205325
2-(methylaminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 106008883
2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide
CID 63205435
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide (CID 63202897) is 2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide is CCCC(Cl)Cc1ccccc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UUJOVGJCWLBYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-4-7-13(15)10-12-8-5-6-9-14(12)19(17,18)16-11(2)3/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3.
What are the key properties of 2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide?
2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 303.86 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 63202897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).