2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide

C10H13Br2NO3S — CID 83030925

IUPAC2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NC[C@H](C)O)cc1Br
InChIInChI=1S/C10H13Br2NO3S/c1-6-3-9(12)10(4-8(6)11)17(15,16)13-5-7(2)14/h3-4,7,13-14H,5H2,1-2H3/t7-/m0/s1
InChIKeyCMLJAUDNEVFWCT-ZETCQYMHSA-N
MW387.09 g/mol
LogP2.18
Rot. Bonds4

About 2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide

2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide (PubChem CID 83030925) has the molecular formula C10H13Br2NO3S and a molecular weight of 387.09 g/mol. Its IUPAC name is 2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
PubChem CID83030925
Molecular FormulaC10H13Br2NO3S
Molecular Weight387.09 g/mol
Exact Mass384.90
IUPAC Name2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NC[C@H](C)O)cc1Br
InChIInChI=1S/C10H13Br2NO3S/c1-6-3-9(12)10(4-8(6)11)17(15,16)13-5-7(2)14/h3-4,7,13-14H,5H2,1-2H3/t7-/m0/s1
InChIKeyCMLJAUDNEVFWCT-ZETCQYMHSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.09
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(2S)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 51860913
2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide
CID 81424081
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methoxy-4-methylbenzenesulfonamide
CID 27262155
2,5-dibromo-N-(2-hydroxypentyl)-4-methylbenzenesulfonamide
CID 115754515
2,5-dibromo-N-(3-chloro-2-methylpropyl)-4-methylbenzenesulfonamide
CID 81327843
2,5-dibromo-N-[2-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 80708425
2,5-dibromo-N-(2-cyclopropyl-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 81327832
N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 43845575
2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide
CID 113258209
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
4-bromo-N-[(2S)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 51681214
3-[[(2,5-dibromo-4-methylphenyl)sulfonylamino]methyl]pentanoic acid
CID 81320151

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide (CID 83030925) is 2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NC[C@H](C)O)cc1Br.
What is the InChIKey of 2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide?
The InChIKey is CMLJAUDNEVFWCT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13Br2NO3S/c1-6-3-9(12)10(4-8(6)11)17(15,16)13-5-7(2)14/h3-4,7,13-14H,5H2,1-2H3/t7-/m0/s1.
What are the key properties of 2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide?
2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide has a molecular weight of 387.09 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 83030925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).