N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide

C14H18ClNO2S2 — CID 22204431

IUPACN-(2-adamantyl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClNO2S2/c15-12-1-2-13(19-12)20(17,18)16-14-10-4-8-3-9(6-10)7-11(14)5-8/h1-2,8-11,14,16H,3-7H2
InChIKeySOWXJJRBUNHQDC-UHFFFAOYSA-N
MW331.89 g/mol
LogP3.50
Rot. Bonds3

About N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide

N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide (PubChem CID 22204431) has the molecular formula C14H18ClNO2S2 and a molecular weight of 331.89 g/mol. Its IUPAC name is N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-chlorothiophene-2-sulfonamide
PubChem CID22204431
Molecular FormulaC14H18ClNO2S2
Molecular Weight331.89 g/mol
Exact Mass331.05
IUPAC NameN-(2-adamantyl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClNO2S2/c15-12-1-2-13(19-12)20(17,18)16-14-10-4-8-3-9(6-10)7-11(14)5-8/h1-2,8-11,14,16H,3-7H2
InChIKeySOWXJJRBUNHQDC-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]thiophene-2-sulfonamide
CID 95984008
N-(3-aminocyclobutyl)-5-chlorothiophene-2-sulfonamide
CID 43597846
N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide
CID 59701874
5-chloro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 28811036
N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
CID 80662650
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 62380456
N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide
CID 22201496
N-(2-adamantyl)-4-aminobenzenesulfonamide
CID 11771200
5-chloro-N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]thiophene-2-sulfonamide
CID 133130662
5-chloro-N-(3,3-dimethylcyclopentyl)thiophene-2-sulfonamide
CID 115881167
5-chloro-N-[5-[2-(4-fluoroanilino)ethylamino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 59701800
5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide
CID 25042934

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide (CID 22204431) is N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide is O=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)s1.
What is the InChIKey of N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is SOWXJJRBUNHQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S2/c15-12-1-2-13(19-12)20(17,18)16-14-10-4-8-3-9(6-10)7-11(14)5-8/h1-2,8-11,14,16H,3-7H2.
What are the key properties of N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide?
N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 331.89 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 22204431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).