4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide

C15H16BrNO3S — CID 60723660

IUPAC4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(C)O)ccc1Br
InChIInChI=1S/C15H16BrNO3S/c1-10-9-12(7-8-14(10)16)21(19,20)17-15-6-4-3-5-13(15)11(2)18/h3-9,11,17-18H,1-2H3
InChIKeyRKYVAIHACVUJBU-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.61
Rot. Bonds4

About 4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide

4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 60723660) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
PubChem CID60723660
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(C)O)ccc1Br
InChIInChI=1S/C15H16BrNO3S/c1-10-9-12(7-8-14(10)16)21(19,20)17-15-6-4-3-5-13(15)11(2)18/h3-9,11,17-18H,1-2H3
InChIKeyRKYVAIHACVUJBU-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 107649996
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730
ethyl 2-[(4-bromo-3-methylphenyl)sulfonylamino]benzoate
CID 2696978
4-bromo-N-[(2S)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 51681214
4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
CID 60534380
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 146147461
4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 60824396
3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide
CID 55768562

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide (CID 60723660) is 4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2C(C)O)ccc1Br.
What is the InChIKey of 4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is RKYVAIHACVUJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-10-9-12(7-8-14(10)16)21(19,20)17-15-6-4-3-5-13(15)11(2)18/h3-9,11,17-18H,1-2H3.
What are the key properties of 4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide?
4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 60723660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).