N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

C14H17ClN2O2S2 — CID 106057338

IUPACN-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C
InChIInChI=1S/C14H17ClN2O2S2/c1-9-7-14(20-13(9)8-16-3)21(18,19)17-12-6-4-5-11(15)10(12)2/h4-7,16-17H,8H2,1-3H3
InChIKeyAFBPAODJBPPUNJ-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.54
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106057338) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106057338
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC NameN-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C
InChIInChI=1S/C14H17ClN2O2S2/c1-9-7-14(20-13(9)8-16-3)21(18,19)17-12-6-4-5-11(15)10(12)2/h4-7,16-17H,8H2,1-3H3
InChIKeyAFBPAODJBPPUNJ-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031146
N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106044813
N-(2,5-dibromophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106007099
N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031041
4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide
CID 114141603
N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087894
5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057731
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106003829
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide
CID 75449103

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106057338) is N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is AFBPAODJBPPUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-9-7-14(20-13(9)8-16-3)21(18,19)17-12-6-4-5-11(15)10(12)2/h4-7,16-17H,8H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 344.89 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106057338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).