N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide

C13H14ClNO2S2 — CID 63396454

IUPACN-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCCl)Cc1ccccc1
InChIInChI=1S/C13H14ClNO2S2/c14-8-9-15(11-12-5-2-1-3-6-12)19(16,17)13-7-4-10-18-13/h1-7,10H,8-9,11H2
InChIKeyDSWSNKIURMPOKU-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.18
Rot. Bonds6

About N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide

N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide (PubChem CID 63396454) has the molecular formula C13H14ClNO2S2 and a molecular weight of 315.85 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide
PubChem CID63396454
Molecular FormulaC13H14ClNO2S2
Molecular Weight315.85 g/mol
Exact Mass315.02
IUPAC NameN-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCCl)Cc1ccccc1
InChIInChI=1S/C13H14ClNO2S2/c14-8-9-15(11-12-5-2-1-3-6-12)19(16,17)13-7-4-10-18-13/h1-7,10H,8-9,11H2
InChIKeyDSWSNKIURMPOKU-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
CID 63396801
N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
CID 63396584
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110427013
N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 63396974
N,N-dibenzyl-1-chloromethanesulfonamide
CID 63666157
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 60510056
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide (CID 63396454) is N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide?
The InChIKey is DSWSNKIURMPOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S2/c14-8-9-15(11-12-5-2-1-3-6-12)19(16,17)13-7-4-10-18-13/h1-7,10H,8-9,11H2.
What are the key properties of N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide?
N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide has a molecular weight of 315.85 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 63396454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).