1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide

C17H16ClNO3S3 — CID 121133907

IUPAC1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(C(O)c2ccsc2)s1
InChIInChI=1S/C17H16ClNO3S3/c18-14-3-1-2-12(8-14)11-25(21,22)19-9-15-4-5-16(24-15)17(20)13-6-7-23-10-13/h1-8,10,17,19-20H,9,11H2
InChIKeyUVGLRRDYBVCNST-UHFFFAOYSA-N
MW413.97 g/mol
LogP4.16
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide

1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide (PubChem CID 121133907) has the molecular formula C17H16ClNO3S3 and a molecular weight of 413.97 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide
PubChem CID121133907
Molecular FormulaC17H16ClNO3S3
Molecular Weight413.97 g/mol
Exact Mass413.00
IUPAC Name1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(C(O)c2ccsc2)s1
InChIInChI=1S/C17H16ClNO3S3/c18-14-3-1-2-12(8-14)11-25(21,22)19-9-15-4-5-16(24-15)17(20)13-6-7-23-10-13/h1-8,10,17,19-20H,9,11H2
InChIKeyUVGLRRDYBVCNST-UHFFFAOYSA-N
XLogP4.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
CID 121133888
2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133885
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121133913
(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide
CID 121133865
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 121133870
1-(3-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 16933203
2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133766
4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 99882730
2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 73167871
2-benzylsulfanyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133787
1-(2,6-difluorophenyl)-3-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]urea
CID 99882742
2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 99882670

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide (CID 121133907) is 1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(C(O)c2ccsc2)s1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide?
The InChIKey is UVGLRRDYBVCNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S3/c18-14-3-1-2-12(8-14)11-25(21,22)19-9-15-4-5-16(24-15)17(20)13-6-7-23-10-13/h1-8,10,17,19-20H,9,11H2.
What are the key properties of 1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide has a molecular weight of 413.97 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 121133907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).