5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide

C9H13Cl2NO3S2 — CID 106158237

IUPAC5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide
SMILESCOCC(CCCl)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H13Cl2NO3S2/c1-15-6-7(4-5-10)12-17(13,14)9-3-2-8(11)16-9/h2-3,7,12H,4-6H2,1H3
InChIKeyLPSTZJZWQPHSPA-UHFFFAOYSA-N
MW318.25 g/mol
LogP2.32
Rot. Bonds7

About 5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide

5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide (PubChem CID 106158237) has the molecular formula C9H13Cl2NO3S2 and a molecular weight of 318.25 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide
PubChem CID106158237
Molecular FormulaC9H13Cl2NO3S2
Molecular Weight318.25 g/mol
Exact Mass316.97
IUPAC Name5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide
SMILESCOCC(CCCl)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H13Cl2NO3S2/c1-15-6-7(4-5-10)12-17(13,14)9-3-2-8(11)16-9/h2-3,7,12H,4-6H2,1H3
InChIKeyLPSTZJZWQPHSPA-UHFFFAOYSA-N
XLogP2.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
CID 114151632
5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide
CID 114166270
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide
CID 106158328
5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
CID 68540037
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106068483
5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide
CID 66930253
2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114155512
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 61144815
2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 60640830
5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
CID 22500763

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide (CID 106158237) is 5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide is COCC(CCCl)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is LPSTZJZWQPHSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO3S2/c1-15-6-7(4-5-10)12-17(13,14)9-3-2-8(11)16-9/h2-3,7,12H,4-6H2,1H3.
What are the key properties of 5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide?
5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 318.25 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106158237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).