N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide

C19H18ClN3O4S — CID 53132745

IUPACN-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
SMILESO=C(c1noc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc12)N1CCCCC1
InChIInChI=1S/C19H18ClN3O4S/c20-15-6-2-3-7-16(15)22-28(25,26)13-8-9-17-14(12-13)18(21-27-17)19(24)23-10-4-1-5-11-23/h2-3,6-9,12,22H,1,4-5,10-11H2
InChIKeyXBBWAUHJCPVQMG-UHFFFAOYSA-N
MW419.89 g/mol
LogP3.91
Rot. Bonds4

About N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide

N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide (PubChem CID 53132745) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
PubChem CID53132745
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC NameN-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
SMILESO=C(c1noc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc12)N1CCCCC1
InChIInChI=1S/C19H18ClN3O4S/c20-15-6-2-3-7-16(15)22-28(25,26)13-8-9-17-14(12-13)18(21-27-17)19(24)23-10-4-1-5-11-23/h2-3,6-9,12,22H,1,4-5,10-11H2
InChIKeyXBBWAUHJCPVQMG-UHFFFAOYSA-N
XLogP3.91
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132672
N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132773
N-(4-bromo-3-methylphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132723
N-(3,4-dimethoxyphenyl)-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132570
[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,2-benzoxazol-3-yl]-piperidin-1-ylmethanone
CID 53132702
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7376470
3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55894997
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 4806668
1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 2940704
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide (CID 53132745) is N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide is O=C(c1noc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc12)N1CCCCC1.
What is the InChIKey of N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide?
The InChIKey is XBBWAUHJCPVQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c20-15-6-2-3-7-16(15)22-28(25,26)13-8-9-17-14(12-13)18(21-27-17)19(24)23-10-4-1-5-11-23/h2-3,6-9,12,22H,1,4-5,10-11H2.
What are the key properties of N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide?
N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide has a molecular weight of 419.89 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide is sourced from PubChem (CID 53132745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).