N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide

C14H16ClNO3S2 — CID 91631033

IUPACN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO3S2/c1-19-12(13-7-8-14(15)20-13)9-16-21(17,18)10-11-5-3-2-4-6-11/h2-8,12,16H,9-10H2,1H3
InChIKeyCPHMPTBOFBKNDS-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide (PubChem CID 91631033) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
PubChem CID91631033
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO3S2/c1-19-12(13-7-8-14(15)20-13)9-16-21(17,18)10-11-5-3-2-4-6-11/h2-8,12,16H,9-10H2,1H3
InChIKeyCPHMPTBOFBKNDS-UHFFFAOYSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]methanesulfonamide
CID 121180260
N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide
CID 121180311
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide
CID 121180263
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 100729826
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 97417781
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 97417537
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 91631035
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide
CID 91631055
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 100729356
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide
CID 35603755
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91631063

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide (CID 91631033) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide is COC(CNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide?
The InChIKey is CPHMPTBOFBKNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-19-12(13-7-8-14(15)20-13)9-16-21(17,18)10-11-5-3-2-4-6-11/h2-8,12,16H,9-10H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide has a molecular weight of 345.87 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 91631033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).