N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide

C20H26N2O3S — CID 110637679

IUPACN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3(C)C)cc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-15-5-10-19(16(2)13-15)26(23,24)21-17-6-8-18(9-7-17)22-11-12-25-14-20(22,3)4/h5-10,13,21H,11-12,14H2,1-4H3
InChIKeyDQLIFKTXVPWUEW-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.72
Rot. Bonds4

About N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide

N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 110637679) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide
PubChem CID110637679
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3(C)C)cc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-15-5-10-19(16(2)13-15)26(23,24)21-17-6-8-18(9-7-17)22-11-12-25-14-20(22,3)4/h5-10,13,21H,11-12,14H2,1-4H3
InChIKeyDQLIFKTXVPWUEW-UHFFFAOYSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110408957
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide
CID 110637700
N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide
CID 18276845
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide
CID 108783245
2,4-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 31813143
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-2,4-dimethylbenzenesulfonamide
CID 40958696
4-fluoro-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 100690280
2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891005
2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 110875704
2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968208
2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide (CID 110637679) is N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3(C)C)cc2)c(C)c1.
What is the InChIKey of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is DQLIFKTXVPWUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-5-10-19(16(2)13-15)26(23,24)21-17-6-8-18(9-7-17)22-11-12-25-14-20(22,3)4/h5-10,13,21H,11-12,14H2,1-4H3.
What are the key properties of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide?
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110637679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).