4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide

C15H18ClN5O3S — CID 146423705

IUPAC4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=C(N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)n1cncn1
InChIInChI=1S/C15H18ClN5O3S/c16-13-1-3-14(4-2-13)25(23,24)19-9-12-5-7-20(8-6-12)15(22)21-11-17-10-18-21/h1-4,10-12,19H,5-9H2
InChIKeyPQVICAMFDPJENL-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.59
Rot. Bonds4

About 4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide

4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 146423705) has the molecular formula C15H18ClN5O3S and a molecular weight of 383.86 g/mol. Its IUPAC name is 4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID146423705
Molecular FormulaC15H18ClN5O3S
Molecular Weight383.86 g/mol
Exact Mass383.08
IUPAC Name4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=C(N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)n1cncn1
InChIInChI=1S/C15H18ClN5O3S/c16-13-1-3-14(4-2-13)25(23,24)19-9-12-5-7-20(8-6-12)15(22)21-11-17-10-18-21/h1-4,10-12,19H,5-9H2
InChIKeyPQVICAMFDPJENL-UHFFFAOYSA-N
XLogP1.59
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521872
4-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007398
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide
CID 5323384
4-tert-butyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 71786382
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid
CID 174678128
N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615
3,4-difluoro-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521160
4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121108109

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 146423705) is 4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide is O=C(N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)n1cncn1.
What is the InChIKey of 4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is PQVICAMFDPJENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O3S/c16-13-1-3-14(4-2-13)25(23,24)19-9-12-5-7-20(8-6-12)15(22)21-11-17-10-18-21/h1-4,10-12,19H,5-9H2.
What are the key properties of 4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 383.86 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 146423705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).