N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide

C14H17BrN2O2S2 — CID 106058540

IUPACN-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-3-16-9-12-5-7-14(20-12)21(18,19)17-11-4-6-13(15)10(2)8-11/h4-8,16-17H,3,9H2,1-2H3
InChIKeyBGNHISYLRKDSLS-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.73
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide

N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106058540) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
PubChem CID106058540
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC NameN-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-3-16-9-12-5-7-14(20-12)21(18,19)17-11-4-6-13(15)10(2)8-11/h4-8,16-17H,3,9H2,1-2H3
InChIKeyBGNHISYLRKDSLS-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-(5-bromo-6-methyl-2-pyridinyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106070374
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
5-(ethylaminomethyl)-N-(6-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106073184
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026736
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106058597
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106090194
N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061369
5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
5-[(4-bromo-3-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311184

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide (CID 106058540) is N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)s1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is BGNHISYLRKDSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-3-16-9-12-5-7-14(20-12)21(18,19)17-11-4-6-13(15)10(2)8-11/h4-8,16-17H,3,9H2,1-2H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106058540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).