N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide

C14H17ClN2O2S2 — CID 60931642

IUPACN-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC(C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H17ClN2O2S2/c1-3-21(18,19)17-12-6-4-11(5-7-12)16-10(2)13-8-9-14(15)20-13/h4-10,16-17H,3H2,1-2H3
InChIKeyBXMFTXWGEYXXHG-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.34
Rot. Bonds6

About N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide

N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide (PubChem CID 60931642) 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]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
PubChem CID60931642
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC NameN-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC(C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H17ClN2O2S2/c1-3-21(18,19)17-12-6-4-11(5-7-12)16-10(2)13-8-9-14(15)20-13/h4-10,16-17H,3H2,1-2H3
InChIKeyBXMFTXWGEYXXHG-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60932015
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]ethanesulfonamide
CID 102976918
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide
CID 43741247
4-[1-(5-chlorothiophen-2-yl)ethylamino]benzenecarbothioamide
CID 54954931
4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide
CID 43742133
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960
N-[4-(1-cyclopropylethylamino)phenyl]ethanesulfonamide
CID 54866252
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
CID 61472334
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 54954956
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide (CID 60931642) is N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NC(C)c2ccc(Cl)s2)cc1.
What is the InChIKey of N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide?
The InChIKey is BXMFTXWGEYXXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-3-21(18,19)17-12-6-4-11(5-7-12)16-10(2)13-8-9-14(15)20-13/h4-10,16-17H,3H2,1-2H3.
What are the key properties of N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide?
N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 4.34, 6 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]phenyl]ethanesulfonamide is sourced from PubChem (CID 60931642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).