N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide

C21H20BrN3O3S — CID 141028549

IUPACN-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Br)c1ccccc1NCCOc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C21H20BrN3O3S/c1-29(26,27)25(22)21-9-5-4-8-19(21)23-12-13-28-15-10-11-17-16-6-2-3-7-18(16)24-20(17)14-15/h2-11,14,23-24H,12-13H2,1H3
InChIKeyAJSIOYXTCKDFCX-UHFFFAOYSA-N
MW474.38 g/mol
LogP4.89
Rot. Bonds7

About N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide

N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide (PubChem CID 141028549) has the molecular formula C21H20BrN3O3S and a molecular weight of 474.38 g/mol. Its IUPAC name is N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide
PubChem CID141028549
Molecular FormulaC21H20BrN3O3S
Molecular Weight474.38 g/mol
Exact Mass473.04
IUPAC NameN-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Br)c1ccccc1NCCOc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C21H20BrN3O3S/c1-29(26,27)25(22)21-9-5-4-8-19(21)23-12-13-28-15-10-11-17-16-6-2-3-7-18(16)24-20(17)14-15/h2-11,14,23-24H,12-13H2,1H3
InChIKeyAJSIOYXTCKDFCX-UHFFFAOYSA-N
XLogP4.89
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(9H-carbazol-2-yloxy)ethyl]benzene-1,2-diamine
CID 173239314
N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide
CID 18615264
2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole
CID 18615068
N-[5-[2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]-1-hydroxyethyl]-2-chlorophenyl]methanesulfonamide;ethane
CID 142048383
N-ethyl-2-[[7-[2-(ethylamino)ethoxy]-9H-carbazol-2-yl]oxy]ethanamine
CID 57439411
5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide
CID 18615207
6-[2-[N-(2-hydroxyethyl)-2-(methanesulfonamido)anilino]ethoxy]-3-methyl-1H-indole-2-carboxylic acid
CID 66911821
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
2-(9H-carbazol-2-yloxy)-N-(2-methylphenyl)acetamide
CID 17493998
N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 11734879
[2-[1-(9H-carbazol-2-yloxy)propan-2-ylamino]phenyl]methanol;hydrochloride
CID 18615090
N-butyl-2-(9H-carbazol-2-yloxy)acetamide
CID 7714244

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide (CID 141028549) is N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide is CS(=O)(=O)N(Br)c1ccccc1NCCOc1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide?
The InChIKey is AJSIOYXTCKDFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3S/c1-29(26,27)25(22)21-9-5-4-8-19(21)23-12-13-28-15-10-11-17-16-6-2-3-7-18(16)24-20(17)14-15/h2-11,14,23-24H,12-13H2,1H3.
What are the key properties of N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide?
N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide has a molecular weight of 474.38 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-[2-[2-(9H-carbazol-2-yloxy)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 141028549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).