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

C14H17ClN2O2S2 — CID 43741247

IUPACN-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide
SMILESCc1cc(NC(C)c2ccc(Cl)s2)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H17ClN2O2S2/c1-9-8-11(4-5-12(9)17-21(3,18)19)16-10(2)13-6-7-14(15)20-13/h4-8,10,16-17H,1-3H3
InChIKeyVVRZDEJLVHQCHP-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.25
Rot. Bonds5

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

N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide (PubChem CID 43741247) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide
PubChem CID43741247
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC NameN-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide
SMILESCc1cc(NC(C)c2ccc(Cl)s2)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H17ClN2O2S2/c1-9-8-11(4-5-12(9)17-21(3,18)19)16-10(2)13-6-7-14(15)20-13/h4-8,10,16-17H,1-3H3
InChIKeyVVRZDEJLVHQCHP-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-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide
CID 102976919
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 54954956
N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60931642
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 61468882
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide
CID 43677288
N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide
CID 89245904
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
1-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]methanesulfonamide
CID 55246411
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline
CID 43439176

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide (CID 43741247) is N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide is Cc1cc(NC(C)c2ccc(Cl)s2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide?
The InChIKey is VVRZDEJLVHQCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-9-8-11(4-5-12(9)17-21(3,18)19)16-10(2)13-6-7-14(15)20-13/h4-8,10,16-17H,1-3H3.
What are the key properties of N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide?
N-[4-[1-(5-chlorothiophen-2-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-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 43741247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).