5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide

C13H11Cl3N2O2S — CID 106059474

IUPAC5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide
SMILESNCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H11Cl3N2O2S/c14-10-4-2-9(6-12(10)16)18-21(19,20)13-5-8(7-17)1-3-11(13)15/h1-6,18H,7,17H2
InChIKeyQRGQBRJXLQMLDO-UHFFFAOYSA-N
MW365.67 g/mol
LogP3.91
Rot. Bonds4

About 5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide

5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide (PubChem CID 106059474) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is 5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide
PubChem CID106059474
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC Name5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide
SMILESNCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H11Cl3N2O2S/c14-10-4-2-9(6-12(10)16)18-21(19,20)13-5-8(7-17)1-3-11(13)15/h1-6,18H,7,17H2
InChIKeyQRGQBRJXLQMLDO-UHFFFAOYSA-N
XLogP3.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-chloro-N-(4-iodophenyl)benzenesulfonamide
CID 106029582
5-(aminomethyl)-2-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 106058925
2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 22773572
2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide
CID 106059491
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006581
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 106039463
5-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102915813
5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031342
4-(aminomethyl)-N-(3,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 106060049
5-(aminomethyl)-2-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79361372
5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 106059520

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide (CID 106059474) is 5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide is NCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide?
The InChIKey is QRGQBRJXLQMLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c14-10-4-2-9(6-12(10)16)18-21(19,20)13-5-8(7-17)1-3-11(13)15/h1-6,18H,7,17H2.
What are the key properties of 5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide?
5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide has a molecular weight of 365.67 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 106059474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).