N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide

C13H11BrCl2N2O2S — CID 63254778

IUPACN-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1
InChIInChI=1S/C13H11BrCl2N2O2S/c14-9-5-11(15)13(12(16)6-9)21(19,20)18-10-3-1-2-8(4-10)7-17/h1-6,18H,7,17H2
InChIKeyHKAVNERLGMRXJH-UHFFFAOYSA-N
MW410.12 g/mol
LogP4.02
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide

N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide (PubChem CID 63254778) has the molecular formula C13H11BrCl2N2O2S and a molecular weight of 410.12 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide
PubChem CID63254778
Molecular FormulaC13H11BrCl2N2O2S
Molecular Weight410.12 g/mol
Exact Mass407.91
IUPAC NameN-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1
InChIInChI=1S/C13H11BrCl2N2O2S/c14-9-5-11(15)13(12(16)6-9)21(19,20)18-10-3-1-2-8(4-10)7-17/h1-6,18H,7,17H2
InChIKeyHKAVNERLGMRXJH-UHFFFAOYSA-N
XLogP4.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.12
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577855
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
CID 43257573
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 60640543
4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide
CID 60640782
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide (CID 63254778) is N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide is NCc1cccc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide?
The InChIKey is HKAVNERLGMRXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O2S/c14-9-5-11(15)13(12(16)6-9)21(19,20)18-10-3-1-2-8(4-10)7-17/h1-6,18H,7,17H2.
What are the key properties of N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide?
N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide has a molecular weight of 410.12 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 63254778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).