2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide

C11H13Cl2NO2S — CID 66004603

IUPAC2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CC(Cl)C1)c1ccccc1Cl
InChIInChI=1S/C11H13Cl2NO2S/c12-9-5-8(6-9)7-14-17(15,16)11-4-2-1-3-10(11)13/h1-4,8-9,14H,5-7H2
InChIKeyRNBNHZYQKFCCLU-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.64
Rot. Bonds4

About 2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide

2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide (PubChem CID 66004603) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
PubChem CID66004603
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CC(Cl)C1)c1ccccc1Cl
InChIInChI=1S/C11H13Cl2NO2S/c12-9-5-8(6-9)7-14-17(15,16)11-4-2-1-3-10(11)13/h1-4,8-9,14H,5-7H2
InChIKeyRNBNHZYQKFCCLU-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.64
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

2,5-dichloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007400
N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66005680
2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide
CID 75440507
4-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007398
2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide
CID 106135299
2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640667
2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813135
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide
CID 110709330
2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 154576267
2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887922
4-chloro-N-[(3-chlorocyclobutyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315973
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide (CID 66004603) is 2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CC(Cl)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide?
The InChIKey is RNBNHZYQKFCCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c12-9-5-8(6-9)7-14-17(15,16)11-4-2-1-3-10(11)13/h1-4,8-9,14H,5-7H2.
What are the key properties of 2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide?
2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide has a molecular weight of 294.20 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 66004603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).