N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide

C21H18Br2N2O3S — CID 1098867

IUPACN-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21)c1ccccc1
InChIInChI=1S/C21H18Br2N2O3S/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-16(26)12-24-29(27,28)17-4-2-1-3-5-17/h1-11,16,24,26H,12-13H2/t16-/m0/s1
InChIKeyYHHBGHUJICCQNG-INIZCTEOSA-N
MW538.26 g/mol
LogP4.66
Rot. Bonds6

About N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide

N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 1098867) has the molecular formula C21H18Br2N2O3S and a molecular weight of 538.26 g/mol. Its IUPAC name is N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide
PubChem CID1098867
Molecular FormulaC21H18Br2N2O3S
Molecular Weight538.26 g/mol
Exact Mass535.94
IUPAC NameN-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21)c1ccccc1
InChIInChI=1S/C21H18Br2N2O3S/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-16(26)12-24-29(27,28)17-4-2-1-3-5-17/h1-11,16,24,26H,12-13H2/t16-/m0/s1
InChIKeyYHHBGHUJICCQNG-INIZCTEOSA-N
XLogP4.66
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.26
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide (CID 1098867) is N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide is O=S(=O)(NC[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21)c1ccccc1.
What is the InChIKey of N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is YHHBGHUJICCQNG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H18Br2N2O3S/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-16(26)12-24-29(27,28)17-4-2-1-3-5-17/h1-11,16,24,26H,12-13H2/t16-/m0/s1.
What are the key properties of N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide?
N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 538.26 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 1098867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).