N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide

C10H14BrFN2O2S — CID 103829034

IUPACN-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H14BrFN2O2S/c1-14(6-2-5-13)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6,13H2,1H3
InChIKeyMQPDVBHTLOBZBG-UHFFFAOYSA-N
MW325.20 g/mol
LogP1.56
Rot. Bonds5

About N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide

N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 103829034) has the molecular formula C10H14BrFN2O2S and a molecular weight of 325.20 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
PubChem CID103829034
Molecular FormulaC10H14BrFN2O2S
Molecular Weight325.20 g/mol
Exact Mass323.99
IUPAC NameN-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H14BrFN2O2S/c1-14(6-2-5-13)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6,13H2,1H3
InChIKeyMQPDVBHTLOBZBG-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
4-bromo-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697185
N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 113285756
4-bromo-3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 103834156
4-bromo-3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 103697188
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697383
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 115319055
4-bromo-N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 103697346

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide (CID 103829034) is N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide is CN(CCCN)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is MQPDVBHTLOBZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S/c1-14(6-2-5-13)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide?
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 325.20 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 103829034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).