1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide

C8H12ClNO2S2 — CID 65245746

IUPAC1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)CCl)sc1C
InChIInChI=1S/C8H12ClNO2S2/c1-6-3-8(13-7(6)2)4-10-14(11,12)5-9/h3,10H,4-5H2,1-2H3
InChIKeyKFOARXXOPFUGMM-UHFFFAOYSA-N
MW253.78 g/mol
LogP1.98
Rot. Bonds4

About 1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide

1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide (PubChem CID 65245746) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is 1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide
PubChem CID65245746
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC Name1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)CCl)sc1C
InChIInChI=1S/C8H12ClNO2S2/c1-6-3-8(13-7(6)2)4-10-14(11,12)5-9/h3,10H,4-5H2,1-2H3
InChIKeyKFOARXXOPFUGMM-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 51.98
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-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide
CID 65245329
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 65243947
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 79570103
methyl 4-[(4,5-dimethylthiophen-2-yl)methylsulfamoyl]butanoate
CID 65246530
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106612374
3-amino-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246459
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 65246698
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide
CID 65246264
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 65243443
1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide
CID 63666222
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine
CID 65243774
4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65244040

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide (CID 65245746) is 1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide is Cc1cc(CNS(=O)(=O)CCl)sc1C.
What is the InChIKey of 1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide?
The InChIKey is KFOARXXOPFUGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2S2/c1-6-3-8(13-7(6)2)4-10-14(11,12)5-9/h3,10H,4-5H2,1-2H3.
What are the key properties of 1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide?
1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide has a molecular weight of 253.78 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 65245746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).