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

C15H16BrNO3S — CID 102530107

IUPACN-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9,15,17-18H,10H2,1H3
InChIKeyAMEARLOSWJSQDL-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.60
Rot. Bonds5

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

N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide (PubChem CID 102530107) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide
PubChem CID102530107
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC NameN-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9,15,17-18H,10H2,1H3
InChIKeyAMEARLOSWJSQDL-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-[(4-bromophenyl)-cyanomethyl]-4-methylbenzenesulfonamide
CID 53465731
ethyl (2R,3R)-2-amino-3-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 11729901
1-(4-bromophenyl)propan-2-yl 4-methylbenzenesulfonate
CID 175087123
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 1274947
(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008
1-[(4-bromophenyl)methylsulfonyl]-4-methylbenzene
CID 2996005
[(Z)-but-2-enyl] 2-[(4-bromophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 163919873
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide (CID 102530107) is N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide?
The InChIKey is AMEARLOSWJSQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9,15,17-18H,10H2,1H3.
What are the key properties of N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide?
N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102530107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).