N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide

C15H17BrN2O2S — CID 107630479

IUPACN-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2cccc(Br)c2C)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-3-17-12-7-9-13(10-8-12)21(19,20)18-15-6-4-5-14(16)11(15)2/h4-10,17-18H,3H2,1-2H3
InChIKeyXRHBZHPEFCLEPP-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.99
Rot. Bonds5

About N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide

N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide (PubChem CID 107630479) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide
PubChem CID107630479
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2cccc(Br)c2C)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-3-17-12-7-9-13(10-8-12)21(19,20)18-15-6-4-5-14(16)11(15)2/h4-10,17-18H,3H2,1-2H3
InChIKeyXRHBZHPEFCLEPP-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 82750328
N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide
CID 107603188
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 62145351
3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 106088180
N-(3-bromo-2-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106088206
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 62145399
N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 62145281
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 107638767
4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide
CID 106088126
1-(2-aminoethyl)-N-(3-bromo-2-methylphenyl)pyrazole-4-sulfonamide
CID 106088124
N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide
CID 107631086

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide (CID 107630479) is N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)Nc2cccc(Br)c2C)cc1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide?
The InChIKey is XRHBZHPEFCLEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-3-17-12-7-9-13(10-8-12)21(19,20)18-15-6-4-5-14(16)11(15)2/h4-10,17-18H,3H2,1-2H3.
What are the key properties of N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide?
N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 107630479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).