N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide

C14H14BrClN2O2S — CID 62949907

IUPACN-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H14BrClN2O2S/c15-12-5-6-14(13(16)7-12)21(19,20)18-9-11-4-2-1-3-10(11)8-17/h1-7,18H,8-9,17H2
InChIKeyXBPWUPCOALDQGN-UHFFFAOYSA-N
MW389.70 g/mol
LogP3.04
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide

N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide (PubChem CID 62949907) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
PubChem CID62949907
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H14BrClN2O2S/c15-12-5-6-14(13(16)7-12)21(19,20)18-9-11-4-2-1-3-10(11)8-17/h1-7,18H,8-9,17H2
InChIKeyXBPWUPCOALDQGN-UHFFFAOYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide
CID 62949723
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 81095097
N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714
4-bromo-N-[[3-(bromomethyl)phenyl]methyl]-2-chlorobenzenesulfonamide
CID 114298024
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide
CID 65031150
4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477882
4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28525638
4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3753093
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide (CID 62949907) is N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide is NCc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide?
The InChIKey is XBPWUPCOALDQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c15-12-5-6-14(13(16)7-12)21(19,20)18-9-11-4-2-1-3-10(11)8-17/h1-7,18H,8-9,17H2.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide is sourced from PubChem (CID 62949907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).