N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide

C15H19BrN2O2S — CID 106073055

IUPACN-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H19BrN2O2S/c1-3-17-10-11(2)21(19,20)18-15-7-5-12-8-14(16)6-4-13(12)9-15/h4-9,11,17-18H,3,10H2,1-2H3
InChIKeyAXOZODXSPSGCOW-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.34
Rot. Bonds6

About N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide

N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide (PubChem CID 106073055) has the molecular formula C15H19BrN2O2S and a molecular weight of 371.30 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide
PubChem CID106073055
Molecular FormulaC15H19BrN2O2S
Molecular Weight371.30 g/mol
Exact Mass370.04
IUPAC NameN-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H19BrN2O2S/c1-3-17-10-11(2)21(19,20)18-15-7-5-12-8-14(16)6-4-13(12)9-15/h4-9,11,17-18H,3,10H2,1-2H3
InChIKeyAXOZODXSPSGCOW-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide 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

N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114141175
N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114140099
N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 114137608
N-(4-bromo-3-methoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106076653
N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106056724
N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521261
3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine
CID 62459947
1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086976
N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 114141749
(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide
CID 107278431

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide (CID 106073055) is N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide?
The InChIKey is AXOZODXSPSGCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2S/c1-3-17-10-11(2)21(19,20)18-15-7-5-12-8-14(16)6-4-13(12)9-15/h4-9,11,17-18H,3,10H2,1-2H3.
What are the key properties of N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide?
N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide has a molecular weight of 371.30 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide is sourced from PubChem (CID 106073055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).