N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide

C12H18BrClN2O2S — CID 106056724

IUPACN-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H18BrClN2O2S/c1-3-6-15-8-9(2)19(17,18)16-12-7-10(13)4-5-11(12)14/h4-5,7,9,15-16H,3,6,8H2,1-2H3
InChIKeyLJUAJDTVUAMCDI-UHFFFAOYSA-N
MW369.71 g/mol
LogP3.23
Rot. Bonds7

About N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide

N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide (PubChem CID 106056724) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide
PubChem CID106056724
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC NameN-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H18BrClN2O2S/c1-3-6-15-8-9(2)19(17,18)16-12-7-10(13)4-5-11(12)14/h4-5,7,9,15-16H,3,6,8H2,1-2H3
InChIKeyLJUAJDTVUAMCDI-UHFFFAOYSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(propylamino)-N-(2,4,5-trifluorophenyl)propane-2-sulfonamide
CID 106056088
N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 62908956
N-(2,3-difluorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106017484
N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106058883
N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 114141749
N-(4-bromo-3-methoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106076653
N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide
CID 107278431
1-(propylamino)-N-(2,4,6-trifluorophenyl)propane-2-sulfonamide
CID 106069542
N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106073055
N-[2-(difluoromethoxy)phenyl]-1-(propylamino)propane-2-sulfonamide
CID 106030472
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114140099

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide (CID 106056724) is N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide?
The InChIKey is LJUAJDTVUAMCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O2S/c1-3-6-15-8-9(2)19(17,18)16-12-7-10(13)4-5-11(12)14/h4-5,7,9,15-16H,3,6,8H2,1-2H3.
What are the key properties of N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide?
N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide has a molecular weight of 369.71 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide is sourced from PubChem (CID 106056724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).