N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide

C14H17BrN2O2S2 — CID 43459868

IUPACN-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide
SMILESCCCN(Cc1ccccc1N)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-2-9-17(10-11-5-3-4-6-12(11)16)21(18,19)14-8-7-13(15)20-14/h3-8H,2,9-10,16H2,1H3
InChIKeyJXWJFROXZMPTEK-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.69
Rot. Bonds6

About N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide

N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide (PubChem CID 43459868) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide
PubChem CID43459868
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC NameN-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide
SMILESCCCN(Cc1ccccc1N)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-2-9-17(10-11-5-3-4-6-12(11)16)21(18,19)14-8-7-13(15)20-14/h3-8H,2,9-10,16H2,1H3
InChIKeyJXWJFROXZMPTEK-UHFFFAOYSA-N
XLogP3.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.69
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

5-bromo-N-[4-(1-piperidinylsulfonyl)phenyl]-2-thiophenesulfonamide
CID 1006732
5-bromo-N-(2-methylphenyl)thiophene-2-sulfonamide
CID 843097
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 15988702
5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
CID 90680887
5-Bromo-2-(indolinylsulfonyl)thiophene
CID 843670
1-[(5-Bromothiophen-2-YL)sulfonyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 22430618
3-{[(5-bromo-2-thienyl)sulfonyl]amino}-N-(4-ethylphenyl)propanamide
CID 46246288
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996113
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 156601350
2-(5-Bromothiophene-2-sulfonamido)-N-(2-ethylphenyl)acetamide
CID 7398911
3-(5-Bromothiophene-2-sulfonamido)-N-(2-methylphenyl)propanamide
CID 15999039
N-(3-Ethylphenyl)-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide
CID 16001026

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide (CID 43459868) is N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide is CCCN(Cc1ccccc1N)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide?
The InChIKey is JXWJFROXZMPTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-2-9-17(10-11-5-3-4-6-12(11)16)21(18,19)14-8-7-13(15)20-14/h3-8H,2,9-10,16H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide?
N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-5-bromo-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 43459868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).