5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide

C11H18ClNO3S2 — CID 68540037

IUPAC5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
SMILESCCCCCC(CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO3S2/c1-2-3-4-5-9(8-14)13-18(15,16)11-7-6-10(12)17-11/h6-7,9,13-14H,2-5,8H2,1H3
InChIKeyYULKRESWKZTATO-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.62
Rot. Bonds8

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

5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide (PubChem CID 68540037) has the molecular formula C11H18ClNO3S2 and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
PubChem CID68540037
Molecular FormulaC11H18ClNO3S2
Molecular Weight311.86 g/mol
Exact Mass311.04
IUPAC Name5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
SMILESCCCCCC(CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO3S2/c1-2-3-4-5-9(8-14)13-18(15,16)11-7-6-10(12)17-11/h6-7,9,13-14H,2-5,8H2,1H3
InChIKeyYULKRESWKZTATO-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide
CID 10110420
5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
CID 22500763
5-chloro-N-[(2S,3S)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 44571758
5-chloro-N-(1-hydroxy-3-methylnonan-2-yl)thiophene-2-sulfonamide
CID 22500801
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenyloctan-2-yl]thiophene-2-sulfonamide
CID 66929777
5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 66929724
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
CID 66930190
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide
CID 10156475
5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106158237

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide (CID 68540037) is 5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide is CCCCCC(CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide?
The InChIKey is YULKRESWKZTATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO3S2/c1-2-3-4-5-9(8-14)13-18(15,16)11-7-6-10(12)17-11/h6-7,9,13-14H,2-5,8H2,1H3.
What are the key properties of 5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide?
5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide has a molecular weight of 311.86 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 68540037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).