2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide

C10H14ClNO2S2 — CID 102750385

IUPAC2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CCl)c1S(=O)(=O)N(C)C1CC1
InChIInChI=1S/C10H14ClNO2S2/c1-7-6-15-9(5-11)10(7)16(13,14)12(2)8-3-4-8/h6,8H,3-5H2,1-2H3
InChIKeyBPMQSLQMNRQJJM-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.58
Rot. Bonds4

About 2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide

2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide (PubChem CID 102750385) has the molecular formula C10H14ClNO2S2 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide
PubChem CID102750385
Molecular FormulaC10H14ClNO2S2
Molecular Weight279.81 g/mol
Exact Mass279.02
IUPAC Name2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CCl)c1S(=O)(=O)N(C)C1CC1
InChIInChI=1S/C10H14ClNO2S2/c1-7-6-15-9(5-11)10(7)16(13,14)12(2)8-3-4-8/h6,8H,3-5H2,1-2H3
InChIKeyBPMQSLQMNRQJJM-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.58
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

5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65753748
5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65754138
1-[2-(Chloromethyl)-4-methylthiophen-3-yl]sulfonyl-3-(trifluoromethyl)piperidine
CID 102750297
2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102750444
2-(chloromethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102750479
2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102750480
2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102750481
2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102750484
2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 102750712
2-(chloromethyl)-N-(2,2-difluoroethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102750782
5-(chloromethyl)-N,4-dimethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 65745249
2-(chloromethyl)-N-methyl-N-propan-2-ylthiophene-3-sulfonamide
CID 65745442

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide?
The IUPAC name of 2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide (CID 102750385) is 2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide is Cc1csc(CCl)c1S(=O)(=O)N(C)C1CC1.
What is the InChIKey of 2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide?
The InChIKey is BPMQSLQMNRQJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S2/c1-7-6-15-9(5-11)10(7)16(13,14)12(2)8-3-4-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide?
2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide has a molecular weight of 279.81 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 102750385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).