3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide

C17H15ClN4O2S — CID 17220582

IUPAC3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CSc3ncn[nH]3)cc2)cc1Cl
InChIInChI=1S/C17H15ClN4O2S/c1-24-15-7-4-12(8-14(15)18)16(23)21-13-5-2-11(3-6-13)9-25-17-19-10-20-22-17/h2-8,10H,9H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyUGUQWCGITNSJGS-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.01
Rot. Bonds6

About 3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide

3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide (PubChem CID 17220582) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide
PubChem CID17220582
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CSc3ncn[nH]3)cc2)cc1Cl
InChIInChI=1S/C17H15ClN4O2S/c1-24-15-7-4-12(8-14(15)18)16(23)21-13-5-2-11(3-6-13)9-25-17-19-10-20-22-17/h2-8,10H,9H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyUGUQWCGITNSJGS-UHFFFAOYSA-N
XLogP4.01
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7976869
N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide
CID 112767336
butyl 4-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzoate
CID 55342261
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 56577246
N-[3-(phenylcarbamoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55515308
N-[4-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 31011314
N-(1H-indazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 71943302
N-[6-(dimethylamino)-3-pyridinyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 30217808
N-(2,3-dihydro-1H-inden-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 8001804
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide (CID 17220582) is 3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(CSc3ncn[nH]3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide?
The InChIKey is UGUQWCGITNSJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-24-15-7-4-12(8-14(15)18)16(23)21-13-5-2-11(3-6-13)9-25-17-19-10-20-22-17/h2-8,10H,9H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of 3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide?
3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide has a molecular weight of 374.85 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 17220582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).