5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride

C10H12ClN3O4S3 — CID 104709821

IUPAC5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride
SMILESCn1nccc1S(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H12ClN3O4S3/c1-14-9(5-6-12-14)21(17,18)13-7-4-8-2-3-10(19-8)20(11,15)16/h2-3,5-6,13H,4,7H2,1H3
InChIKeyMITYWMOAMQVIRU-UHFFFAOYSA-N
MW369.88 g/mol
LogP0.93
Rot. Bonds6

About 5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride

5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 104709821) has the molecular formula C10H12ClN3O4S3 and a molecular weight of 369.88 g/mol. Its IUPAC name is 5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID104709821
Molecular FormulaC10H12ClN3O4S3
Molecular Weight369.88 g/mol
Exact Mass368.97
IUPAC Name5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride
SMILESCn1nccc1S(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H12ClN3O4S3/c1-14-9(5-6-12-14)21(17,18)13-7-4-8-2-3-10(19-8)20(11,15)16/h2-3,5-6,13H,4,7H2,1H3
InChIKeyMITYWMOAMQVIRU-UHFFFAOYSA-N
XLogP0.93
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 63687132
N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
CID 107322765
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
CID 104710231
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104710176
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663
N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
CID 104709354
N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
CID 107848847
5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 55014305
N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
CID 106158843
N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride (CID 104709821) is 5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride is Cn1nccc1S(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is MITYWMOAMQVIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4S3/c1-14-9(5-6-12-14)21(17,18)13-7-4-8-2-3-10(19-8)20(11,15)16/h2-3,5-6,13H,4,7H2,1H3.
What are the key properties of 5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride?
5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 369.88 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 104709821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).