4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide

C12H15Cl2NO2S — CID 114758607

IUPAC4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(CCCl)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl2NO2S/c13-8-7-12(5-6-12)9-15-18(16,17)11-3-1-10(14)2-4-11/h1-4,15H,5-9H2
InChIKeySKFFKVHRYYMRCM-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.03
Rot. Bonds6

About 4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide

4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide (PubChem CID 114758607) has the molecular formula C12H15Cl2NO2S and a molecular weight of 308.23 g/mol. Its IUPAC name is 4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide
PubChem CID114758607
Molecular FormulaC12H15Cl2NO2S
Molecular Weight308.23 g/mol
Exact Mass307.02
IUPAC Name4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(CCCl)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl2NO2S/c13-8-7-12(5-6-12)9-15-18(16,17)11-3-1-10(14)2-4-11/h1-4,15H,5-9H2
InChIKeySKFFKVHRYYMRCM-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.03
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-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide
CID 114758572
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 114101242
3,4-dichloro-N-[[1-(chloromethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115456637
acetic acid;4-chloro-N-[[1-[(4-ethylphenyl)methyl]cyclopentyl]methyl]benzenesulfonamide
CID 162054654
N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
CID 19575240
5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 114758635
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102694095
4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
CID 11976887
3-amino-4-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755713
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 113313712
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide (CID 114758607) is 4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide is O=S(=O)(NCC1(CCCl)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide?
The InChIKey is SKFFKVHRYYMRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S/c13-8-7-12(5-6-12)9-15-18(16,17)11-3-1-10(14)2-4-11/h1-4,15H,5-9H2.
What are the key properties of 4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide?
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide has a molecular weight of 308.23 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide is sourced from PubChem (CID 114758607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).