N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide

C11H10BrClN2O2S2 — CID 107465906

IUPACN-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H10BrClN2O2S2/c1-15(9-6-7(13)2-3-8(9)14)19(16,17)11-5-4-10(12)18-11/h2-6H,14H2,1H3
InChIKeyPUUYINFJZLPISL-UHFFFAOYSA-N
MW381.70 g/mol
LogP3.57
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide

N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide (PubChem CID 107465906) has the molecular formula C11H10BrClN2O2S2 and a molecular weight of 381.70 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide
PubChem CID107465906
Molecular FormulaC11H10BrClN2O2S2
Molecular Weight381.70 g/mol
Exact Mass379.91
IUPAC NameN-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H10BrClN2O2S2/c1-15(9-6-7(13)2-3-8(9)14)19(16,17)11-5-4-10(12)18-11/h2-6H,14H2,1H3
InChIKeyPUUYINFJZLPISL-UHFFFAOYSA-N
XLogP3.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide
CID 80578152
5-amino-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]benzoic acid
CID 63116575
2-N-[(5-bromothiophen-2-yl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466105
N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide
CID 107465930
N-(2-amino-5-chlorophenyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 107465863
N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide
CID 107465924
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
CID 107465946
5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 3714744
N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide
CID 43458476
(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid
CID 67189352
N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide
CID 107465899
N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide
CID 107465842

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide (CID 107465906) is N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide is CN(c1cc(Cl)ccc1N)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide?
The InChIKey is PUUYINFJZLPISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2S2/c1-15(9-6-7(13)2-3-8(9)14)19(16,17)11-5-4-10(12)18-11/h2-6H,14H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide?
N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide has a molecular weight of 381.70 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 107465906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).