N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

C18H16ClN3O4S2 — CID 87486445

IUPACN-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NC(CO)c1ccccc1Cl)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H16ClN3O4S2/c19-15-4-2-1-3-14(15)16(11-23)21-17(24)12-5-7-13(8-6-12)28(25,26)22-18-20-9-10-27-18/h1-10,16,23H,11H2,(H,20,22)(H,21,24)
InChIKeyCHGICGWSJWYSPK-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.06
Rot. Bonds7

About N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87486445) has the molecular formula C18H16ClN3O4S2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87486445
Molecular FormulaC18H16ClN3O4S2
Molecular Weight437.93 g/mol
Exact Mass437.03
IUPAC NameN-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NC(CO)c1ccccc1Cl)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H16ClN3O4S2/c19-15-4-2-1-3-14(15)16(11-23)21-17(24)12-5-7-13(8-6-12)28(25,26)22-18-20-9-10-27-18/h1-10,16,23H,11H2,(H,20,22)(H,21,24)
InChIKeyCHGICGWSJWYSPK-UHFFFAOYSA-N
XLogP3.06
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487830
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486453
4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
CID 26289110
N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486427
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
4-(3-hydroxyprop-1-ynyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60823787
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87486445) is N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is O=C(NC(CO)c1ccccc1Cl)c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is CHGICGWSJWYSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S2/c19-15-4-2-1-3-14(15)16(11-23)21-17(24)12-5-7-13(8-6-12)28(25,26)22-18-20-9-10-27-18/h1-10,16,23H,11H2,(H,20,22)(H,21,24).
What are the key properties of N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 437.93 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87486445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).