N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide

C12H12Cl2N2O2S2 — CID 43550900

IUPACN-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1cc(N)ccc1Cl)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-16(7-8-6-9(15)2-3-10(8)13)20(17,18)12-5-4-11(14)19-12/h2-6H,7,15H2,1H3
InChIKeyLMNXECLMJWZRHL-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.46
Rot. Bonds4

About N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide

N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide (PubChem CID 43550900) has the molecular formula C12H12Cl2N2O2S2 and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide
PubChem CID43550900
Molecular FormulaC12H12Cl2N2O2S2
Molecular Weight351.28 g/mol
Exact Mass349.97
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1cc(N)ccc1Cl)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-16(7-8-6-9(15)2-3-10(8)13)20(17,18)12-5-4-11(14)19-12/h2-6H,7,15H2,1H3
InChIKeyLMNXECLMJWZRHL-UHFFFAOYSA-N
XLogP3.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.46
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-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide
CID 43550905
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690547
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859
N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 96667362
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzenesulfonamide
CID 54978657
5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 134017189
5-chloro-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
CID 74225766
N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 106441802
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61105357
methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate
CID 61456989
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79593838
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide (CID 43550900) is N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide is CN(Cc1cc(N)ccc1Cl)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide?
The InChIKey is LMNXECLMJWZRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S2/c1-16(7-8-6-9(15)2-3-10(8)13)20(17,18)12-5-4-11(14)19-12/h2-6H,7,15H2,1H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide?
N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide has a molecular weight of 351.28 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 43550900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).