N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide

C11H22ClNO2S — CID 115365303

IUPACN-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide
SMILESCC(C)(CCl)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-11(2,8-12)9-13-16(14,15)10-6-4-3-5-7-10/h10,13H,3-9H2,1-2H3
InChIKeyUMEAHYUWWUGMRQ-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.50
Rot. Bonds5

About N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide

N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide (PubChem CID 115365303) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide
PubChem CID115365303
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide
SMILESCC(C)(CCl)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-11(2,8-12)9-13-16(14,15)10-6-4-3-5-7-10/h10,13H,3-9H2,1-2H3
InChIKeyUMEAHYUWWUGMRQ-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.50
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-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide
CID 115365332
N-[2,2-dimethyl-3-(methylamino)propyl]cyclopentanesulfonamide
CID 115271131
N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide
CID 106145688
N-(3-amino-2,2-dimethylpropyl)cyclobutanesulfonamide
CID 115270992
3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid
CID 115427537
N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
CID 105361722
N-(3-amino-2,2-difluoropropyl)cyclohexanesulfonamide
CID 114383985
N-(4-hydroxybutyl)cyclohexanesulfonamide
CID 106843941
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide
CID 115270989
N-(2-oxopropyl)cyclohexanesulfonamide
CID 64994168
2-(cycloheptylsulfonylamino)acetic acid
CID 22441691

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide (CID 115365303) is N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide is CC(C)(CCl)CNS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide?
The InChIKey is UMEAHYUWWUGMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-11(2,8-12)9-13-16(14,15)10-6-4-3-5-7-10/h10,13H,3-9H2,1-2H3.
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide?
N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide has a molecular weight of 267.82 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide is sourced from PubChem (CID 115365303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).