N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide

C12H12ClNO2S2 — CID 51169508

IUPACN-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO2S2/c1-9(10-4-2-5-11(13)8-10)14-18(15,16)12-6-3-7-17-12/h2-9,14H,1H3
InChIKeyZSWMUQZWTBIXGS-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.44
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide

N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 51169508) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID51169508
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC NameN-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO2S2/c1-9(10-4-2-5-11(13)8-10)14-18(15,16)12-6-3-7-17-12/h2-9,14H,1H3
InChIKeyZSWMUQZWTBIXGS-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
N-[1-(3-chlorophenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 42913648
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 9356126
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 35276912
2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 61105602
(3R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092739
N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
CID 43297970
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine
CID 9162051
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide (CID 51169508) is N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1cccs1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZSWMUQZWTBIXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c1-9(10-4-2-5-11(13)8-10)14-18(15,16)12-6-3-7-17-12/h2-9,14H,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide?
N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 301.82 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 51169508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).