5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide

C12H20ClNO3S2 — CID 103270087

IUPAC5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C12H20ClNO3S2/c1-4-9(5-2)10(15)7-14-19(16,17)11-6-8(3)12(13)18-11/h6,9-10,14-15H,4-5,7H2,1-3H3
InChIKeyZLALTAXGAIJSGO-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.79
Rot. Bonds7

About 5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide

5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide (PubChem CID 103270087) has the molecular formula C12H20ClNO3S2 and a molecular weight of 325.88 g/mol. Its IUPAC name is 5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
PubChem CID103270087
Molecular FormulaC12H20ClNO3S2
Molecular Weight325.88 g/mol
Exact Mass325.06
IUPAC Name5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C12H20ClNO3S2/c1-4-9(5-2)10(15)7-14-19(16,17)11-6-8(3)12(13)18-11/h6,9-10,14-15H,4-5,7H2,1-3H3
InChIKeyZLALTAXGAIJSGO-UHFFFAOYSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 120714003
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120711958
5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 103099828
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
5-ethyl-N-(3-ethyl-2-hydroxypentyl)thiophene-2-sulfonamide
CID 103835206
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106288270
N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120712728
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 103100630

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide (CID 103270087) is 5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide is CCC(CC)C(O)CNS(=O)(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is ZLALTAXGAIJSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO3S2/c1-4-9(5-2)10(15)7-14-19(16,17)11-6-8(3)12(13)18-11/h6,9-10,14-15H,4-5,7H2,1-3H3.
What are the key properties of 5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide?
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 325.88 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103270087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).