N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide

C16H19NO3S — CID 43508604

IUPACN-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(C)O)c2)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-11-7-8-16(12(2)9-11)21(19,20)17-15-6-4-5-14(10-15)13(3)18/h4-10,13,17-18H,1-3H3
InChIKeyPAGJYTDWBRXRIW-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.16
Rot. Bonds4

About N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide

N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 43508604) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
PubChem CID43508604
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(C)O)c2)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-11-7-8-16(12(2)9-11)21(19,20)17-15-6-4-5-14(10-15)13(3)18/h4-10,13,17-18H,1-3H3
InChIKeyPAGJYTDWBRXRIW-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43508632
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2089878
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100292
(2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 170343253
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide
CID 25391427
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
CID 43507196

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide (CID 43508604) is N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(C)O)c2)c(C)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is PAGJYTDWBRXRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-7-8-16(12(2)9-11)21(19,20)17-15-6-4-5-14(10-15)13(3)18/h4-10,13,17-18H,1-3H3.
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide?
N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 43508604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).