N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide

C20H23ClN2O3S2 — CID 97218375

IUPACN-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CCS1
InChIInChI=1S/C20H23ClN2O3S2/c1-14(2)19-13-23(11-12-27-19)20(24)15-3-9-18(10-4-15)28(25,26)22-17-7-5-16(21)6-8-17/h3-10,14,19,22H,11-13H2,1-2H3/t19-/m0/s1
InChIKeyIHPBYMCSVHTMFE-IBGZPJMESA-N
MW439.00 g/mol
LogP4.35
Rot. Bonds5

About N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide

N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide (PubChem CID 97218375) has the molecular formula C20H23ClN2O3S2 and a molecular weight of 439.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide
PubChem CID97218375
Molecular FormulaC20H23ClN2O3S2
Molecular Weight439.00 g/mol
Exact Mass438.08
IUPAC NameN-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CCS1
InChIInChI=1S/C20H23ClN2O3S2/c1-14(2)19-13-23(11-12-27-19)20(24)15-3-9-18(10-4-15)28(25,26)22-17-7-5-16(21)6-8-17/h3-10,14,19,22H,11-13H2,1-2H3/t19-/m0/s1
InChIKeyIHPBYMCSVHTMFE-IBGZPJMESA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159134
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470429
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide;hydrochloride
CID 119631367
3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 43010282
N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-4-chlorobenzenesulfonamide
CID 1056916
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26590719
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119578076
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide (CID 97218375) is N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide is CC(C)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CCS1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide?
The InChIKey is IHPBYMCSVHTMFE-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23ClN2O3S2/c1-14(2)19-13-23(11-12-27-19)20(24)15-3-9-18(10-4-15)28(25,26)22-17-7-5-16(21)6-8-17/h3-10,14,19,22H,11-13H2,1-2H3/t19-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide?
N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide has a molecular weight of 439.00 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide is sourced from PubChem (CID 97218375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).