N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide

C12H12ClNO3S — CID 162435301

IUPACN-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NCCCl)c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C12H12ClNO3S/c13-6-7-14-18(15,16)12-3-1-10(2-4-12)11-5-8-17-9-11/h1-5,8-9,14H,6-7H2
InChIKeyNJQKEGZHKAMVRE-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.46
Rot. Bonds5

About N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide

N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide (PubChem CID 162435301) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide
PubChem CID162435301
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC NameN-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NCCCl)c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C12H12ClNO3S/c13-6-7-14-18(15,16)12-3-1-10(2-4-12)11-5-8-17-9-11/h1-5,8-9,14H,6-7H2
InChIKeyNJQKEGZHKAMVRE-UHFFFAOYSA-N
XLogP2.46
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603
N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 119103346
N-(2-chloroethyl)-4-(3,6-dihydro-2H-pyran-4-yl)benzenesulfonamide
CID 162435558
4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
CID 115588808
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 162435337
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690
N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 126851040
4-bromo-N-(5-chloropentyl)benzenesulfonamide
CID 107322747
4-chloro-N-(2-chloroethyl)-3-nitrobenzenesulfonamide
CID 61288897
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide (CID 162435301) is N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide is O=S(=O)(NCCCl)c1ccc(-c2ccoc2)cc1.
What is the InChIKey of N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide?
The InChIKey is NJQKEGZHKAMVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c13-6-7-14-18(15,16)12-3-1-10(2-4-12)11-5-8-17-9-11/h1-5,8-9,14H,6-7H2.
What are the key properties of N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide?
N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide has a molecular weight of 285.75 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide is sourced from PubChem (CID 162435301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).