N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide

C12H20ClNO2S2 — CID 106146122

IUPACN-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)CCCCl)s1
InChIInChI=1S/C12H20ClNO2S2/c1-10-5-6-11(17-10)18(15,16)14-9-12(2,3)7-4-8-13/h5-6,14H,4,7-9H2,1-3H3
InChIKeyHSDKMAFUAXUQJE-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.38
Rot. Bonds7

About N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide

N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide (PubChem CID 106146122) has the molecular formula C12H20ClNO2S2 and a molecular weight of 309.88 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide
PubChem CID106146122
Molecular FormulaC12H20ClNO2S2
Molecular Weight309.88 g/mol
Exact Mass309.06
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)CCCCl)s1
InChIInChI=1S/C12H20ClNO2S2/c1-10-5-6-11(17-10)18(15,16)14-9-12(2,3)7-4-8-13/h5-6,14H,4,7-9H2,1-3H3
InChIKeyHSDKMAFUAXUQJE-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
CID 114149844
2,2-dimethyl-3-[(5-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 115427424
2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide
CID 114149858
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-(5-chloro-2,2-dimethylpentyl)-3,4-difluorobenzenesulfonamide
CID 106146125
N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114149847
N-[(E)-4-chlorobut-2-enyl]-5-methylthiophene-2-sulfonamide
CID 81430518
2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide
CID 106146182
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide
CID 113085743
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide
CID 61132568
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide (CID 106146122) is N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(C)(C)CCCCl)s1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is HSDKMAFUAXUQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2S2/c1-10-5-6-11(17-10)18(15,16)14-9-12(2,3)7-4-8-13/h5-6,14H,4,7-9H2,1-3H3.
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide?
N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 309.88 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106146122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).