3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide

C17H15ClN2O3S2 — CID 91630400

IUPAC3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)cc1Cl
InChIInChI=1S/C17H15ClN2O3S2/c1-23-16-5-4-13(10-14(16)18)25(21,22)20-11-12-6-7-19-15(9-12)17-3-2-8-24-17/h2-10,20H,11H2,1H3
InChIKeyYYMSKQRXQKXQLO-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.95
Rot. Bonds6

About 3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide

3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91630400) has the molecular formula C17H15ClN2O3S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID91630400
Molecular FormulaC17H15ClN2O3S2
Molecular Weight394.91 g/mol
Exact Mass394.02
IUPAC Name3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)cc1Cl
InChIInChI=1S/C17H15ClN2O3S2/c1-23-16-5-4-13(10-14(16)18)25(21,22)20-11-12-6-7-19-15(9-12)17-3-2-8-24-17/h2-10,20H,11H2,1H3
InChIKeyYYMSKQRXQKXQLO-UHFFFAOYSA-N
XLogP3.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780125
3-chloro-4-methoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318264
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide
CID 91817222
3-chloro-4-methoxy-N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318123
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318627
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
CID 95983496
3-chloro-4-methoxy-N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 87033023
(E)-2-(4-methylphenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]ethenesulfonamide
CID 117055112

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 91630400) is 3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is YYMSKQRXQKXQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S2/c1-23-16-5-4-13(10-14(16)18)25(21,22)20-11-12-6-7-19-15(9-12)17-3-2-8-24-17/h2-10,20H,11H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 394.91 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91630400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).