N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide

C13H16ClFN2O3S — CID 119051771

IUPACN-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)C1CC1
InChIInChI=1S/C13H16ClFN2O3S/c14-10-3-4-11(16-21(18,19)9-1-2-9)13(12(10)15)17-5-7-20-8-6-17/h3-4,9,16H,1-2,5-8H2
InChIKeyPXWVARHFGGKBMA-UHFFFAOYSA-N
MW334.80 g/mol
LogP2.22
Rot. Bonds4

About N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide

N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide (PubChem CID 119051771) has the molecular formula C13H16ClFN2O3S and a molecular weight of 334.80 g/mol. Its IUPAC name is N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide
PubChem CID119051771
Molecular FormulaC13H16ClFN2O3S
Molecular Weight334.80 g/mol
Exact Mass334.06
IUPAC NameN-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)C1CC1
InChIInChI=1S/C13H16ClFN2O3S/c14-10-3-4-11(16-21(18,19)9-1-2-9)13(12(10)15)17-5-7-20-8-6-17/h3-4,9,16H,1-2,5-8H2
InChIKeyPXWVARHFGGKBMA-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-fluoro-2-morpholin-4-ylaniline
CID 99802274
3-[(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid
CID 122092989
N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide
CID 62048974
N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 100746567
3-chloro-4-(cyclopropylsulfonylamino)benzoic acid
CID 64552202
N-[2,4-difluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide
CID 71538187
N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide
CID 114270035
N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 154857682
N-(2-chloro-4-cyanophenyl)cyclopropanesulfonamide
CID 104693388
5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide
CID 3870175
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]oxane-4-sulfonamide
CID 81280588
2-chloro-5-(cyclopropylsulfonylamino)benzoic acid
CID 62998220

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide?
The IUPAC name of N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide (CID 119051771) is N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide is O=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)C1CC1.
What is the InChIKey of N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide?
The InChIKey is PXWVARHFGGKBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3S/c14-10-3-4-11(16-21(18,19)9-1-2-9)13(12(10)15)17-5-7-20-8-6-17/h3-4,9,16H,1-2,5-8H2.
What are the key properties of N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide?
N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide has a molecular weight of 334.80 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide is sourced from PubChem (CID 119051771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).