N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide

C11H9BrClNO2S2 — CID 22774672

IUPACN-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1Br
InChIInChI=1S/C11H9BrClNO2S2/c1-7-6-8(2-3-9(7)12)14-18(15,16)11-5-4-10(13)17-11/h2-6,14H,1H3
InChIKeyNLTAMGZVMSYHFG-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.27
Rot. Bonds3

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

N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide (PubChem CID 22774672) has the molecular formula C11H9BrClNO2S2 and a molecular weight of 366.69 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
PubChem CID22774672
Molecular FormulaC11H9BrClNO2S2
Molecular Weight366.69 g/mol
Exact Mass364.89
IUPAC NameN-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1Br
InChIInChI=1S/C11H9BrClNO2S2/c1-7-6-8(2-3-9(7)12)14-18(15,16)11-5-4-10(13)17-11/h2-6,14H,1H3
InChIKeyNLTAMGZVMSYHFG-UHFFFAOYSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026736
5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 24580783
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106058540
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]thiophene-2-sulfonamide
CID 60814924
5-[(4-bromo-3-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311184
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22202764
N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 104826704
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
5-chloro-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 4845679
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide (CID 22774672) is N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is NLTAMGZVMSYHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2S2/c1-7-6-8(2-3-9(7)12)14-18(15,16)11-5-4-10(13)17-11/h2-6,14H,1H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide?
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 366.69 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 22774672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).