N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide

C8H12ClNO2S2 — CID 47071854

IUPACN-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNO2S2/c1-2-5-14(11,12)10-6-7-3-4-8(9)13-7/h3-4,10H,2,5-6H2,1H3
InChIKeyBIYBASVPGGSBTO-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.23
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide

N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide (PubChem CID 47071854) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide
PubChem CID47071854
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNO2S2/c1-2-5-14(11,12)10-6-7-3-4-8(9)13-7/h3-4,10H,2,5-6H2,1H3
InChIKeyBIYBASVPGGSBTO-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide
CID 35603755
N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide
CID 65245329
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3,6-dimethylbenzenesulfonamide
CID 103171540
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114142728
2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid
CID 73356503
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide
CID 106041745
N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide
CID 47165136
3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
CID 115584114
4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid
CID 106003812
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62559997
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581133
N-[(5-ethylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 106013665

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide (CID 47071854) is N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is BIYBASVPGGSBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2S2/c1-2-5-14(11,12)10-6-7-3-4-8(9)13-7/h3-4,10H,2,5-6H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 253.78 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 47071854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).