2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide

C14H21BrN2O3S — CID 106013854

IUPAC2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CO)cc1Br)N(C)C1CC1
InChIInChI=1S/C14H21BrN2O3S/c1-10(17(2)12-4-5-12)8-16-21(19,20)14-6-3-11(9-18)7-13(14)15/h3,6-7,10,12,16,18H,4-5,8-9H2,1-2H3
InChIKeyHOZSHDYHDAYVQU-UHFFFAOYSA-N
MW377.30 g/mol
LogP1.70
Rot. Bonds7

About 2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide

2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide (PubChem CID 106013854) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide
PubChem CID106013854
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CO)cc1Br)N(C)C1CC1
InChIInChI=1S/C14H21BrN2O3S/c1-10(17(2)12-4-5-12)8-16-21(19,20)14-6-3-11(9-18)7-13(14)15/h3,6-7,10,12,16,18H,4-5,8-9H2,1-2H3
InChIKeyHOZSHDYHDAYVQU-UHFFFAOYSA-N
XLogP1.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83146874
N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106013834
3-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-2-methylbenzenesulfonamide
CID 106094144
N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106094104
2-bromo-4-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002108
N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102704121
2,5-dibromo-N-[2-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 80708425
4-(aminomethyl)-2-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055573
4-(aminomethyl)-2-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]benzenesulfonamide
CID 106094270
2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106001891
2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232776
4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036761

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide (CID 106013854) is 2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(CO)cc1Br)N(C)C1CC1.
What is the InChIKey of 2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide?
The InChIKey is HOZSHDYHDAYVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-10(17(2)12-4-5-12)8-16-21(19,20)14-6-3-11(9-18)7-13(14)15/h3,6-7,10,12,16,18H,4-5,8-9H2,1-2H3.
What are the key properties of 2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide?
2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106013854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).