2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide

C19H23ClN2O5S2 — CID 55598948

IUPAC2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C19H23ClN2O5S2/c1-28(23,24)16-7-8-17(20)19(13-16)29(25,26)21-14-18(15-5-3-2-4-6-15)22-9-11-27-12-10-22/h2-8,13,18,21H,9-12,14H2,1H3
InChIKeyQCWZAISMANYFEB-UHFFFAOYSA-N
MW458.99 g/mol
LogP2.10
Rot. Bonds7

About 2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide

2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide (PubChem CID 55598948) has the molecular formula C19H23ClN2O5S2 and a molecular weight of 458.99 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
PubChem CID55598948
Molecular FormulaC19H23ClN2O5S2
Molecular Weight458.99 g/mol
Exact Mass458.07
IUPAC Name2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C19H23ClN2O5S2/c1-28(23,24)16-7-8-17(20)19(13-16)29(25,26)21-14-18(15-5-3-2-4-6-15)22-9-11-27-12-10-22/h2-8,13,18,21H,9-12,14H2,1H3
InChIKeyQCWZAISMANYFEB-UHFFFAOYSA-N
XLogP2.10
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
CID 47023208
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75748883
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210
2,4-difluoro-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 94008610
2-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606819
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598879
3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506418
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide (CID 55598948) is 2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide is CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)c1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The InChIKey is QCWZAISMANYFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S2/c1-28(23,24)16-7-8-17(20)19(13-16)29(25,26)21-14-18(15-5-3-2-4-6-15)22-9-11-27-12-10-22/h2-8,13,18,21H,9-12,14H2,1H3.
What are the key properties of 2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide has a molecular weight of 458.99 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 55598948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).