N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide

C21H22ClN3O6S — CID 53132672

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)cc1Cl
InChIInChI=1S/C21H22ClN3O6S/c1-29-18-12-19(30-2)16(11-15(18)22)24-32(27,28)13-6-7-17-14(10-13)20(23-31-17)21(26)25-8-4-3-5-9-25/h6-7,10-12,24H,3-5,8-9H2,1-2H3
InChIKeyLNFQJPRJXVKKMQ-UHFFFAOYSA-N
MW479.94 g/mol
LogP3.93
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide (PubChem CID 53132672) has the molecular formula C21H22ClN3O6S and a molecular weight of 479.94 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
PubChem CID53132672
Molecular FormulaC21H22ClN3O6S
Molecular Weight479.94 g/mol
Exact Mass479.09
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)cc1Cl
InChIInChI=1S/C21H22ClN3O6S/c1-29-18-12-19(30-2)16(11-15(18)22)24-32(27,28)13-6-7-17-14(10-13)20(23-31-17)21(26)25-8-4-3-5-9-25/h6-7,10-12,24H,3-5,8-9H2,1-2H3
InChIKeyLNFQJPRJXVKKMQ-UHFFFAOYSA-N
XLogP3.93
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-2,4-dimethoxyphenyl)-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-(2-chlorophenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132745
N-(3,4-dimethoxyphenyl)-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132570
N-[(2,5-dimethoxyphenyl)methyl]-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132757
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-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 53067911
N-(5-chloro-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7510365
3-chloro-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-methoxybenzenesulfonamide
CID 60534932
N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938312
[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,2-benzoxazol-3-yl]-piperidin-1-ylmethanone
CID 53132702
1-[4-[4-[[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl]piperazin-1-yl]phenyl]ethanone
CID 46394161
4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 28569021

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide (CID 53132672) is N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide is COc1cc(OC)c(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide?
The InChIKey is LNFQJPRJXVKKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O6S/c1-29-18-12-19(30-2)16(11-15(18)22)24-32(27,28)13-6-7-17-14(10-13)20(23-31-17)21(26)25-8-4-3-5-9-25/h6-7,10-12,24H,3-5,8-9H2,1-2H3.
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide has a molecular weight of 479.94 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide is sourced from PubChem (CID 53132672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).