2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide

C9H11Cl2NO3S2 — CID 64993790

IUPAC2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide
SMILESCCC(=O)C(C)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2NO3S2/c1-3-6(13)5(2)12-17(14,15)7-4-8(10)16-9(7)11/h4-5,12H,3H2,1-2H3
InChIKeyKOGZYHHOMYNLQZ-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.70
Rot. Bonds5

About 2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide

2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide (PubChem CID 64993790) has the molecular formula C9H11Cl2NO3S2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide
PubChem CID64993790
Molecular FormulaC9H11Cl2NO3S2
Molecular Weight316.23 g/mol
Exact Mass314.96
IUPAC Name2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide
SMILESCCC(=O)C(C)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2NO3S2/c1-3-6(13)5(2)12-17(14,15)7-4-8(10)16-9(7)11/h4-5,12H,3H2,1-2H3
InChIKeyKOGZYHHOMYNLQZ-UHFFFAOYSA-N
XLogP2.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 61137324
2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 61247523
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751470
2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide
CID 55101688
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994107
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 64701142
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide
CID 5199198
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572
N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43606292

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide (CID 64993790) is 2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide is CCC(=O)C(C)NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide?
The InChIKey is KOGZYHHOMYNLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO3S2/c1-3-6(13)5(2)12-17(14,15)7-4-8(10)16-9(7)11/h4-5,12H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide?
2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide has a molecular weight of 316.23 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 64993790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).