3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide

C19H15ClN4O3S2 — CID 154805696

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide
SMILESN#Cc1cccc(-c2csc(NC(=O)CCNS(=O)(=O)c3ccccc3Cl)n2)c1
InChIInChI=1S/C19H15ClN4O3S2/c20-15-6-1-2-7-17(15)29(26,27)22-9-8-18(25)24-19-23-16(12-28-19)14-5-3-4-13(10-14)11-21/h1-7,10,12,22H,8-9H2,(H,23,24,25)
InChIKeyVBWLAYOSCXIOHU-UHFFFAOYSA-N
MW446.94 g/mol
LogP3.64
Rot. Bonds7

About 3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide

3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 154805696) has the molecular formula C19H15ClN4O3S2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID154805696
Molecular FormulaC19H15ClN4O3S2
Molecular Weight446.94 g/mol
Exact Mass446.03
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide
SMILESN#Cc1cccc(-c2csc(NC(=O)CCNS(=O)(=O)c3ccccc3Cl)n2)c1
InChIInChI=1S/C19H15ClN4O3S2/c20-15-6-1-2-7-17(15)29(26,27)22-9-8-18(25)24-19-23-16(12-28-19)14-5-3-4-13(10-14)11-21/h1-7,10,12,22H,8-9H2,(H,23,24,25)
InChIKeyVBWLAYOSCXIOHU-UHFFFAOYSA-N
XLogP3.64
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
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N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
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3-(2-chloro-1,3-thiazol-4-yl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide (CID 154805696) is 3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide is N#Cc1cccc(-c2csc(NC(=O)CCNS(=O)(=O)c3ccccc3Cl)n2)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is VBWLAYOSCXIOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S2/c20-15-6-1-2-7-17(15)29(26,27)22-9-8-18(25)24-19-23-16(12-28-19)14-5-3-4-13(10-14)11-21/h1-7,10,12,22H,8-9H2,(H,23,24,25).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 446.94 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 154805696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).