N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide

C17H24ClNO2S2 — CID 22201496

IUPACN-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24ClNO2S2/c1-2-14(19-23(20,21)16-4-3-15(18)22-16)17-8-11-5-12(9-17)7-13(6-11)10-17/h3-4,11-14,19H,2,5-10H2,1H3
InChIKeyJIVJPDPLVYLNNX-UHFFFAOYSA-N
MW373.97 g/mol
LogP4.67
Rot. Bonds5

About N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide

N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 22201496) has the molecular formula C17H24ClNO2S2 and a molecular weight of 373.97 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide
PubChem CID22201496
Molecular FormulaC17H24ClNO2S2
Molecular Weight373.97 g/mol
Exact Mass373.09
IUPAC NameN-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24ClNO2S2/c1-2-14(19-23(20,21)16-4-3-15(18)22-16)17-8-11-5-12(9-17)7-13(6-11)10-17/h3-4,11-14,19H,2,5-10H2,1H3
InChIKeyJIVJPDPLVYLNNX-UHFFFAOYSA-N
XLogP4.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.97
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)propyl]-4-tert-butylbenzenesulfonamide
CID 22201482
N-[(1R)-1-(1-adamantyl)propyl]-3,4-dichloro-2-methoxybenzenesulfonamide
CID 40844786
N-[1-(1-adamantyl)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22201483
N-[1-(1-adamantyl)propyl]ethanesulfonamide
CID 22201503
1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 63419605
5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide
CID 66930253
1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 63416769
sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid
CID 87610468
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide
CID 22204431
N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22201508
5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide
CID 44571804

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide (CID 22201496) is N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide is CCC(NS(=O)(=O)c1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is JIVJPDPLVYLNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2S2/c1-2-14(19-23(20,21)16-4-3-15(18)22-16)17-8-11-5-12(9-17)7-13(6-11)10-17/h3-4,11-14,19H,2,5-10H2,1H3.
What are the key properties of N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide?
N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 373.97 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 22201496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).