N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide

C13H19BrN2O2S — CID 106018688

IUPACN-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2S/c1-10(8-15-13-5-6-13)19(17,18)16-9-11-3-2-4-12(14)7-11/h2-4,7,10,13,15-16H,5-6,8-9H2,1H3
InChIKeyLHFHHULVDDJRHW-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.01
Rot. Bonds7

About N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide

N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide (PubChem CID 106018688) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
PubChem CID106018688
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2S/c1-10(8-15-13-5-6-13)19(17,18)16-9-11-3-2-4-12(14)7-11/h2-4,7,10,13,15-16H,5-6,8-9H2,1H3
InChIKeyLHFHHULVDDJRHW-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 114137608
1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide
CID 114138780
1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 63373516
1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
CID 106002465
N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 29274544
N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine
CID 79431040
N-[(3-bromophenyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 71979894
N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 63019452
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614655
N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106060415
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
CID 115714631

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide (CID 106018688) is N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide?
The InChIKey is LHFHHULVDDJRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-10(8-15-13-5-6-13)19(17,18)16-9-11-3-2-4-12(14)7-11/h2-4,7,10,13,15-16H,5-6,8-9H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide?
N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide is sourced from PubChem (CID 106018688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).