N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide

C14H17NO3S2 — CID 81241717

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide
SMILESCc1cc(C(C)NS(=O)(=O)c2ccccc2O)c(C)s1
InChIInChI=1S/C14H17NO3S2/c1-9-8-12(11(3)19-9)10(2)15-20(17,18)14-7-5-4-6-13(14)16/h4-8,10,15-16H,1-3H3
InChIKeyASVJLMJOVIIUHF-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.11
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide (PubChem CID 81241717) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide
PubChem CID81241717
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide
SMILESCc1cc(C(C)NS(=O)(=O)c2ccccc2O)c(C)s1
InChIInChI=1S/C14H17NO3S2/c1-9-8-12(11(3)19-9)10(2)15-20(17,18)14-7-5-4-6-13(14)16/h4-8,10,15-16H,1-3H3
InChIKeyASVJLMJOVIIUHF-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene
CID 112684505
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide
CID 60933451
2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide
CID 62158602
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 86931208
(2S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 124592558
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158246
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide
CID 54973764
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
CID 81245889
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
4-[1-(2,5-dimethylthiophen-3-yl)ethylsulfamoyl]butanoic acid
CID 43697794
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide
CID 43742464
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide
CID 81241641

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide (CID 81241717) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide is Cc1cc(C(C)NS(=O)(=O)c2ccccc2O)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide?
The InChIKey is ASVJLMJOVIIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-9-8-12(11(3)19-9)10(2)15-20(17,18)14-7-5-4-6-13(14)16/h4-8,10,15-16H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 81241717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).