2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide

C15H18ClN5O3S — CID 75523542

IUPAC2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCn1cnnc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C15H18ClN5O3S/c1-20-10-17-19-15(20)18-14(22)12-9-11(5-6-13(12)16)25(23,24)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19,22)
InChIKeyBCGWVOVNOGNWSV-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.90
Rot. Bonds4

About 2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 75523542) has the molecular formula C15H18ClN5O3S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID75523542
Molecular FormulaC15H18ClN5O3S
Molecular Weight383.86 g/mol
Exact Mass383.08
IUPAC Name2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCn1cnnc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C15H18ClN5O3S/c1-20-10-17-19-15(20)18-14(22)12-9-11(5-6-13(12)16)25(23,24)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19,22)
InChIKeyBCGWVOVNOGNWSV-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2174228
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 8762849
methyl (2R)-2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]propanoate
CID 41130335
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24611843
2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24575395
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide (CID 75523542) is 2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide is Cn1cnnc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is BCGWVOVNOGNWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O3S/c1-20-10-17-19-15(20)18-14(22)12-9-11(5-6-13(12)16)25(23,24)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19,22).
What are the key properties of 2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 383.86 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 75523542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).