N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide

C15H16BrNO3S — CID 171590028

IUPACN-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)c2ccccc2Br)cc1
InChIInChI=1S/C15H16BrNO3S/c1-11-6-8-12(9-7-11)21(19,20)17-15(10-18)13-4-2-3-5-14(13)16/h2-9,15,17-18H,10H2,1H3
InChIKeyBFOPWOYADJBJMS-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.77
Rot. Bonds5

About N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide

N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide (PubChem CID 171590028) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide
PubChem CID171590028
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC NameN-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)c2ccccc2Br)cc1
InChIInChI=1S/C15H16BrNO3S/c1-11-6-8-12(9-7-11)21(19,20)17-15(10-18)13-4-2-3-5-14(13)16/h2-9,15,17-18H,10H2,1H3
InChIKeyBFOPWOYADJBJMS-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-bromophenyl)but-3-ynyl]-4-methylbenzenesulfonamide
CID 154710736
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene
CID 10903898
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24544760
N-[(1S)-4-chloro-3-oxo-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 134499747
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24786515
N-[(2R,3S)-1,4-dihydroxy-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11437252
4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111771
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide (CID 171590028) is N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CO)c2ccccc2Br)cc1.
What is the InChIKey of N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide?
The InChIKey is BFOPWOYADJBJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-11-6-8-12(9-7-11)21(19,20)17-15(10-18)13-4-2-3-5-14(13)16/h2-9,15,17-18H,10H2,1H3.
What are the key properties of N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide?
N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 171590028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).