N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide

C17H16ClNO3S2 — CID 121180263

IUPACN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)s1
InChIInChI=1S/C17H16ClNO3S2/c1-22-15(16-8-9-17(18)23-16)11-19-24(20,21)14-7-6-12-4-2-3-5-13(12)10-14/h2-10,15,19H,11H2,1H3
InChIKeyMFZJWUHCTXVVKQ-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.22
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide (PubChem CID 121180263) has the molecular formula C17H16ClNO3S2 and a molecular weight of 381.91 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide
PubChem CID121180263
Molecular FormulaC17H16ClNO3S2
Molecular Weight381.91 g/mol
Exact Mass381.03
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)s1
InChIInChI=1S/C17H16ClNO3S2/c1-22-15(16-8-9-17(18)23-16)11-19-24(20,21)14-7-6-12-4-2-3-5-13(12)10-14/h2-10,15,19H,11H2,1H3
InChIKeyMFZJWUHCTXVVKQ-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 100729524
5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide
CID 91631065
N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
CID 90584057
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 100729967
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91631063
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100730087
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 100729826
1-(2-chlorophenyl)-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]methanesulfonamide
CID 121180260
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 91631035
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417524

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide (CID 121180263) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide is COC(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide?
The InChIKey is MFZJWUHCTXVVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S2/c1-22-15(16-8-9-17(18)23-16)11-19-24(20,21)14-7-6-12-4-2-3-5-13(12)10-14/h2-10,15,19H,11H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide has a molecular weight of 381.91 g/mol, XLogP of 4.22, 6 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]naphthalene-2-sulfonamide is sourced from PubChem (CID 121180263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).