5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide

C11H10ClNO3S2 — CID 113317167

IUPAC5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1O)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO3S2/c12-10-5-6-11(17-10)18(15,16)13-7-8-3-1-2-4-9(8)14/h1-6,13-14H,7H2
InChIKeyYXUUWNSCSSUIDL-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.59
Rot. Bonds4

About 5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 113317167) has the molecular formula C11H10ClNO3S2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID113317167
Molecular FormulaC11H10ClNO3S2
Molecular Weight303.79 g/mol
Exact Mass302.98
IUPAC Name5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1O)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO3S2/c12-10-5-6-11(17-10)18(15,16)13-7-8-3-1-2-4-9(8)14/h1-6,13-14H,7H2
InChIKeyYXUUWNSCSSUIDL-UHFFFAOYSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 90538595
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 43235820
3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753806
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-3-fluorobenzenecarbothioamide
CID 63359295
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
CID 79524048
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462
5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
CID 53148365
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389
5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110601348

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide (CID 113317167) is 5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccccc1O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is YXUUWNSCSSUIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S2/c12-10-5-6-11(17-10)18(15,16)13-7-8-3-1-2-4-9(8)14/h1-6,13-14H,7H2.
What are the key properties of 5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 303.79 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113317167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).