N-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide

C15H16BrNO3S — CID 102146801

IUPACN-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO3S/c1-11-5-7-14(8-6-11)21(19,20)17-10-15(18)12-3-2-4-13(16)9-12/h2-9,15,17-18H,10H2,1H3
InChIKeyBRGPZLUIKZVHTA-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide

N-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide (PubChem CID 102146801) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide
PubChem CID102146801
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC NameN-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO3S/c1-11-5-7-14(8-6-11)21(19,20)17-10-15(18)12-3-2-4-13(16)9-12/h2-9,15,17-18H,10H2,1H3
InChIKeyBRGPZLUIKZVHTA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide (CID 102146801) is N-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(O)c2cccc(Br)c2)cc1.
What is the InChIKey of N-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide?
The InChIKey is BRGPZLUIKZVHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-11-5-7-14(8-6-11)21(19,20)17-10-15(18)12-3-2-4-13(16)9-12/h2-9,15,17-18H,10H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide?
N-[2-(3-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-[2-(3-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102146801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).