N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

C12H13ClN2O2S2 — CID 106060545

IUPACN-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C12H13ClN2O2S2/c1-14-7-9-5-12(18-8-9)19(16,17)15-11-4-2-3-10(13)6-11/h2-6,8,14-15H,7H2,1H3
InChIKeyVOSFVHPFYBNLBS-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.92
Rot. Bonds5

About N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106060545) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106060545
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC NameN-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C12H13ClN2O2S2/c1-14-7-9-5-12(18-8-9)19(16,17)15-11-4-2-3-10(13)6-11/h2-6,8,14-15H,7H2,1H3
InChIKeyVOSFVHPFYBNLBS-UHFFFAOYSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106060490
N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106002803
N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106012448
N-(3-bromo-4-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106070953
N-(4-fluorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106061799
N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087225
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056729
N-(3-fluoro-4-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106030451
N-(3-fluorophenyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106060564
N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51043927
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106003238

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106060545) is N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is VOSFVHPFYBNLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-14-7-9-5-12(18-8-9)19(16,17)15-11-4-2-3-10(13)6-11/h2-6,8,14-15H,7H2,1H3.
What are the key properties of N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106060545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).