4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

C24H27N3O4S2 — CID 71796625

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S1(=O)CCCCN1c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C24H27N3O4S2/c28-32(29)19-7-6-17-27(32)23-11-13-24(14-12-23)33(30,31)26(20-22-10-4-5-16-25-22)18-15-21-8-2-1-3-9-21/h1-5,8-14,16H,6-7,15,17-20H2
InChIKeyOZWZFCXRAMLXEZ-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.45
Rot. Bonds8

About 4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 71796625) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID71796625
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S1(=O)CCCCN1c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C24H27N3O4S2/c28-32(29)19-7-6-17-27(32)23-11-13-24(14-12-23)33(30,31)26(20-22-10-4-5-16-25-22)18-15-21-8-2-1-3-9-21/h1-5,8-14,16H,6-7,15,17-20H2
InChIKeyOZWZFCXRAMLXEZ-UHFFFAOYSA-N
XLogP3.45
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084565
3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084535
N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 121084567
3-fluoro-4-methoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084554
4-(2-chloroethyl)-N-(3-methoxypropyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 4209599
N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886797
2-[4-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine
CID 82513963
2-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetic acid
CID 82514494
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 1120654
N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121126866
N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084753
N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide
CID 51353133

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 71796625) is 4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is O=S1(=O)CCCCN1c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is OZWZFCXRAMLXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c28-32(29)19-7-6-17-27(32)23-11-13-24(14-12-23)33(30,31)26(20-22-10-4-5-16-25-22)18-15-21-8-2-1-3-9-21/h1-5,8-14,16H,6-7,15,17-20H2.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 485.63 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 71796625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).