3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide

C18H18ClN5O3S — CID 55653308

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCn1cnnc1-c1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C18H18ClN5O3S/c1-24-12-20-23-18(24)13-5-4-6-14(11-13)22-17(25)9-10-21-28(26,27)16-8-3-2-7-15(16)19/h2-8,11-12,21H,9-10H2,1H3,(H,22,25)
InChIKeyKBSBTUYMZHBITB-UHFFFAOYSA-N
MW419.89 g/mol
LogP2.44
Rot. Bonds7

About 3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide

3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide (PubChem CID 55653308) has the molecular formula C18H18ClN5O3S and a molecular weight of 419.89 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
PubChem CID55653308
Molecular FormulaC18H18ClN5O3S
Molecular Weight419.89 g/mol
Exact Mass419.08
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCn1cnnc1-c1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C18H18ClN5O3S/c1-24-12-20-23-18(24)13-5-4-6-14(11-13)22-17(25)9-10-21-28(26,27)16-8-3-2-7-15(16)19/h2-8,11-12,21H,9-10H2,1H3,(H,22,25)
InChIKeyKBSBTUYMZHBITB-UHFFFAOYSA-N
XLogP2.44
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 79204969
N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide
CID 55868550
4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride
CID 120560585
3-[(2-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 26697206
3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide
CID 131889963
4-tert-butyl-N-[2-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 38313833
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
3-[(2-chlorophenyl)sulfonylamino]-N-(3-cyclopentylsulfonylphenyl)propanamide
CID 55636261
3-[(2-chlorophenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 26126632
3-[(2-chlorophenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 35026494
3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62837372
2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 78861771

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide (CID 55653308) is 3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide is Cn1cnnc1-c1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide?
The InChIKey is KBSBTUYMZHBITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3S/c1-24-12-20-23-18(24)13-5-4-6-14(11-13)22-17(25)9-10-21-28(26,27)16-8-3-2-7-15(16)19/h2-8,11-12,21H,9-10H2,1H3,(H,22,25).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide has a molecular weight of 419.89 g/mol, XLogP of 2.44, 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-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 55653308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).