5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide

C14H17ClN2O2S2 — CID 103100364

IUPAC5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
SMILESCCNCc1cccc(NS(=O)(=O)c2cc(C)c(Cl)s2)c1
InChIInChI=1S/C14H17ClN2O2S2/c1-3-16-9-11-5-4-6-12(8-11)17-21(18,19)13-7-10(2)14(15)20-13/h4-8,16-17H,3,9H2,1-2H3
InChIKeyVHCOLDMPRATMPW-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.62
Rot. Bonds6

About 5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide

5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide (PubChem CID 103100364) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
PubChem CID103100364
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
SMILESCCNCc1cccc(NS(=O)(=O)c2cc(C)c(Cl)s2)c1
InChIInChI=1S/C14H17ClN2O2S2/c1-3-16-9-11-5-4-6-12(8-11)17-21(18,19)13-7-10(2)14(15)20-13/h4-8,16-17H,3,9H2,1-2H3
InChIKeyVHCOLDMPRATMPW-UHFFFAOYSA-N
XLogP3.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 79998136
N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099480
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100292
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
CID 114810494
N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide
CID 43606250
4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
CID 103099684
N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477
N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104710205
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide
CID 100665073
5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide
CID 126828839

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide (CID 103100364) is 5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide is CCNCc1cccc(NS(=O)(=O)c2cc(C)c(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is VHCOLDMPRATMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-3-16-9-11-5-4-6-12(8-11)17-21(18,19)13-7-10(2)14(15)20-13/h4-8,16-17H,3,9H2,1-2H3.
What are the key properties of 5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide?
5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 344.89 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103100364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).