N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide

C14H17ClN2O2S2 — CID 102976919

IUPACN-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide
SMILESCc1cc(NC(C)c2csc(Cl)c2)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H17ClN2O2S2/c1-9-6-12(4-5-13(9)17-21(3,18)19)16-10(2)11-7-14(15)20-8-11/h4-8,10,16-17H,1-3H3
InChIKeyTXDXRMBUVYGAOO-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.25
Rot. Bonds5

About N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide

N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide (PubChem CID 102976919) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide
PubChem CID102976919
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC NameN-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide
SMILESCc1cc(NC(C)c2csc(Cl)c2)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H17ClN2O2S2/c1-9-6-12(4-5-13(9)17-21(3,18)19)16-10(2)11-7-14(15)20-8-11/h4-8,10,16-17H,1-3H3
InChIKeyTXDXRMBUVYGAOO-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide
CID 43741247
N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]ethanesulfonamide
CID 102976918
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
CID 102976781
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
CID 102976765
N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide
CID 89245904
N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline
CID 114082630
N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
1-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]methanesulfonamide
CID 55246411
N-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethynylaniline
CID 114082603
N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
CID 43744787
6-[1-(5-chlorothiophen-3-yl)ethylamino]-4H-1,4-benzoxazin-3-one
CID 102976793

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide (CID 102976919) is N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide is Cc1cc(NC(C)c2csc(Cl)c2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide?
The InChIKey is TXDXRMBUVYGAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-9-6-12(4-5-13(9)17-21(3,18)19)16-10(2)11-7-14(15)20-8-11/h4-8,10,16-17H,1-3H3.
What are the key properties of N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide?
N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 102976919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).