N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide

C18H19Cl2NO4S — CID 9353867

IUPACN-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(OC[C@@H]3CC3(Cl)Cl)cc2)cc1
InChIInChI=1S/C18H19Cl2NO4S/c1-21(26(22,23)17-9-7-15(24-2)8-10-17)14-3-5-16(6-4-14)25-12-13-11-18(13,19)20/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1
InChIKeyPRCNYWLDRVPTFM-ZDUSSCGKSA-N
MW416.33 g/mol
LogP4.09
Rot. Bonds7

About N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide

N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 9353867) has the molecular formula C18H19Cl2NO4S and a molecular weight of 416.33 g/mol. Its IUPAC name is N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID9353867
Molecular FormulaC18H19Cl2NO4S
Molecular Weight416.33 g/mol
Exact Mass415.04
IUPAC NameN-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(OC[C@@H]3CC3(Cl)Cl)cc2)cc1
InChIInChI=1S/C18H19Cl2NO4S/c1-21(26(22,23)17-9-7-15(24-2)8-10-17)14-3-5-16(6-4-14)25-12-13-11-18(13,19)20/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1
InChIKeyPRCNYWLDRVPTFM-ZDUSSCGKSA-N
XLogP4.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 166311152
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide
CID 2489691
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide
CID 62157891
N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 7643459
2-chloro-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoic acid
CID 100552922
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetate
CID 23884453
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 4-cyanobenzoate
CID 4813547

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide (CID 9353867) is N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc(OC[C@@H]3CC3(Cl)Cl)cc2)cc1.
What is the InChIKey of N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is PRCNYWLDRVPTFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19Cl2NO4S/c1-21(26(22,23)17-9-7-15(24-2)8-10-17)14-3-5-16(6-4-14)25-12-13-11-18(13,19)20/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide?
N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 416.33 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 9353867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).