N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide

C14H15ClN2O2S2 — CID 43460927

IUPACN-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide
SMILESNc1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S2/c15-13-7-8-14(20-13)21(18,19)17(11-5-6-11)9-10-3-1-2-4-12(10)16/h1-4,7-8,11H,5-6,9,16H2
InChIKeyPHGODUFLAZXYNW-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.34
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide

N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide (PubChem CID 43460927) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide
PubChem CID43460927
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC NameN-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide
SMILESNc1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S2/c15-13-7-8-14(20-13)21(18,19)17(11-5-6-11)9-10-3-1-2-4-12(10)16/h1-4,7-8,11H,5-6,9,16H2
InChIKeyPHGODUFLAZXYNW-UHFFFAOYSA-N
XLogP3.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.34
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

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5-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-sulfonamide
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2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
CID 17447221
N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
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5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
CID 7517978
5-chloro-N-(2-methylphenyl)thiophene-2-sulfonamide
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5-chloro-N-methyl-N-{[2-(piperidin-1-yl)phenyl]methyl} thiophene-2-sulphonamide
CID 129892555

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide (CID 43460927) is N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide is Nc1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide?
The InChIKey is PHGODUFLAZXYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c15-13-7-8-14(20-13)21(18,19)17(11-5-6-11)9-10-3-1-2-4-12(10)16/h1-4,7-8,11H,5-6,9,16H2.
What are the key properties of N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide?
N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide has a molecular weight of 342.87 g/mol, XLogP of 3.34, 5 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-chloro-N-cyclopropylthiophene-2-sulfonamide is sourced from PubChem (CID 43460927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).