(1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane

C14H16Cl2N2O2S — CID 146532275

IUPAC(1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1
InChIInChI=1S/C14H16Cl2N2O2S/c15-8-3-9(16)5-10(4-8)21(19,20)18-6-11-12(7-18)14-2-1-13(11)17-14/h3-5,11-14,17H,1-2,6-7H2/t11-,12+,13-,14+
InChIKeyIPZPYHHTXJPTCC-KPWCQOOUSA-N
MW347.27 g/mol
LogP2.36
Rot. Bonds2

About (1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane

(1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane (PubChem CID 146532275) has the molecular formula C14H16Cl2N2O2S and a molecular weight of 347.27 g/mol. Its IUPAC name is (1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane
PubChem CID146532275
Molecular FormulaC14H16Cl2N2O2S
Molecular Weight347.27 g/mol
Exact Mass346.03
IUPAC Name(1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1
InChIInChI=1S/C14H16Cl2N2O2S/c15-8-3-9(16)5-10(4-8)21(19,20)18-6-11-12(7-18)14-2-1-13(11)17-14/h3-5,11-14,17H,1-2,6-7H2/t11-,12+,13-,14+
InChIKeyIPZPYHHTXJPTCC-KPWCQOOUSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411225
5-(3,5-dichlorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210665
4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
CID 63396330
(1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane
CID 124744245
(1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride
CID 161309919
[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372743
1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585444
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
[(1S,2R,6S,7R)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(2H-triazol-4-yl)methanone
CID 135150585
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264275
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977516
(3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine
CID 133125721

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane (CID 146532275) is (1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane is O=S(=O)(c1cc(Cl)cc(Cl)c1)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1.
What is the InChIKey of (1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane?
The InChIKey is IPZPYHHTXJPTCC-KPWCQOOUSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2S/c15-8-3-9(16)5-10(4-8)21(19,20)18-6-11-12(7-18)14-2-1-13(11)17-14/h3-5,11-14,17H,1-2,6-7H2/t11-,12+,13-,14+.
What are the key properties of (1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane?
(1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane has a molecular weight of 347.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 146532275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).