N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide

C20H22ClN5O3S — CID 53064382

IUPACN-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
SMILESO=C(CCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1ccccc1Cl
InChIInChI=1S/C20H22ClN5O3S/c21-16-6-2-3-7-17(16)22-20(27)10-13-26-19-9-8-15(14-18(19)23-24-26)30(28,29)25-11-4-1-5-12-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,22,27)
InChIKeyLYAXGAKADNFUHC-UHFFFAOYSA-N
MW447.95 g/mol
LogP3.29
Rot. Bonds6

About N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide

N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide (PubChem CID 53064382) has the molecular formula C20H22ClN5O3S and a molecular weight of 447.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
PubChem CID53064382
Molecular FormulaC20H22ClN5O3S
Molecular Weight447.95 g/mol
Exact Mass447.11
IUPAC NameN-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
SMILESO=C(CCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1ccccc1Cl
InChIInChI=1S/C20H22ClN5O3S/c21-16-6-2-3-7-17(16)22-20(27)10-13-26-19-9-8-15(14-18(19)23-24-26)30(28,29)25-11-4-1-5-12-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,22,27)
InChIKeyLYAXGAKADNFUHC-UHFFFAOYSA-N
XLogP3.29
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064383
1-(2-chlorophenyl)-3-[2-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)ethyl]urea
CID 53110849
N-[(2-chlorophenyl)methyl]-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064385
N-(3-methylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064370
N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064379
N-(4-ethylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064316
N-(5-methyl-1,2-oxazol-3-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 46320678
3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 53064335
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(benzotriazol-1-yl)acetamide
CID 17415444
N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53084977
N-(3-pyrrolidin-1-ylpropyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064377
N-(1-benzylpiperidin-4-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064359

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide (CID 53064382) is N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide is O=C(CCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide?
The InChIKey is LYAXGAKADNFUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3S/c21-16-6-2-3-7-17(16)22-20(27)10-13-26-19-9-8-15(14-18(19)23-24-26)30(28,29)25-11-4-1-5-12-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,22,27).
What are the key properties of N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide?
N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide has a molecular weight of 447.95 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide is sourced from PubChem (CID 53064382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).