N-(2-chloroethyl)-4-phenylbenzenesulfonamide

C14H14ClNO2S — CID 162435603

IUPACN-(2-chloroethyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCCl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14ClNO2S/c15-10-11-16-19(17,18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyJCZPDRACBZXDJJ-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.87
Rot. Bonds5

About N-(2-chloroethyl)-4-phenylbenzenesulfonamide

N-(2-chloroethyl)-4-phenylbenzenesulfonamide (PubChem CID 162435603) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-4-phenylbenzenesulfonamide
PubChem CID162435603
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-(2-chloroethyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCCl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14ClNO2S/c15-10-11-16-19(17,18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyJCZPDRACBZXDJJ-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.87
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-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide
CID 162435301
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884
2-[(4-phenylphenyl)sulfonylamino]acetate
CID 6953151
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-phenylbenzenesulfonamide
CID 166869256
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
CID 9157994
N-(2-chloroethyl)-4-(3,6-dihydro-2H-pyran-4-yl)benzenesulfonamide
CID 162435558
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
CID 16890478
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(2-chloroethyl)-4-phenylbenzenesulfonamide (CID 162435603) is N-(2-chloroethyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-4-phenylbenzenesulfonamide is O=S(=O)(NCCCl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-chloroethyl)-4-phenylbenzenesulfonamide?
The InChIKey is JCZPDRACBZXDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-10-11-16-19(17,18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16H,10-11H2.
What are the key properties of N-(2-chloroethyl)-4-phenylbenzenesulfonamide?
N-(2-chloroethyl)-4-phenylbenzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 162435603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).