N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide

C15H15Cl2NO2S — CID 63396801

IUPACN-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Cl)N(CCCl)Cc1ccccc1
InChIInChI=1S/C15H15Cl2NO2S/c16-10-11-18(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)17/h1-9H,10-12H2
InChIKeySURHMEXZDFCFDU-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.77
Rot. Bonds6

About N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide

N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide (PubChem CID 63396801) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
PubChem CID63396801
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC NameN-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Cl)N(CCCl)Cc1ccccc1
InChIInChI=1S/C15H15Cl2NO2S/c16-10-11-18(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)17/h1-9H,10-12H2
InChIKeySURHMEXZDFCFDU-UHFFFAOYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-chloro-N-propylbenzenesulfonamide
CID 134017133
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide
CID 63397021
N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide
CID 63396454
N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
CID 63396584
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
(2,3-dibromophenyl)methyl 3-[benzyl-(2-chlorophenyl)sulfonylamino]propanoate
CID 166345535
N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide
CID 80676433
[[4-[[(2-chlorophenyl)sulfonyl-[[4-[difluoro(phosphono)methyl]phenyl]methyl]amino]methyl]phenyl]-difluoromethyl]phosphonic acid
CID 11563595
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
N,N-dibenzyl-4-chloro-2,5-dimethylbenzenesulfonamide
CID 3844822

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide (CID 63396801) is N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide is O=S(=O)(c1ccccc1Cl)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide?
The InChIKey is SURHMEXZDFCFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c16-10-11-18(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)17/h1-9H,10-12H2.
What are the key properties of N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide?
N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide has a molecular weight of 344.26 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide is sourced from PubChem (CID 63396801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).