2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide

C14H20ClNO2S — CID 55220897

IUPAC2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide
SMILESCCC(Cl)C(C)c1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H20ClNO2S/c1-3-13(15)10(2)12-6-4-5-7-14(12)19(17,18)16-11-8-9-11/h4-7,10-11,13,16H,3,8-9H2,1-2H3
InChIKeyPSHVXQAJRJHTDF-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.25
Rot. Bonds6

About 2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide

2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide (PubChem CID 55220897) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide
PubChem CID55220897
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide
SMILESCCC(Cl)C(C)c1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H20ClNO2S/c1-3-13(15)10(2)12-6-4-5-7-14(12)19(17,18)16-11-8-9-11/h4-7,10-11,13,16H,3,8-9H2,1-2H3
InChIKeyPSHVXQAJRJHTDF-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.25
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-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide
CID 63205165
2-(3-chloropentan-2-yl)benzenesulfonamide
CID 63562150
2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid
CID 104571930
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid
CID 69166315
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 63925494
2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide (CID 55220897) is 2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide is CCC(Cl)C(C)c1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of 2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is PSHVXQAJRJHTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-3-13(15)10(2)12-6-4-5-7-14(12)19(17,18)16-11-8-9-11/h4-7,10-11,13,16H,3,8-9H2,1-2H3.
What are the key properties of 2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide?
2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 301.84 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 55220897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).