1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine

C12H17ClN2O3S — CID 103576375

IUPAC1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)C(N)C2)cc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-8-6-15(7-11(8)14)19(16,17)9-3-4-12(18-2)10(13)5-9/h3-5,8,11H,6-7,14H2,1-2H3
InChIKeyLIIUXGGYPDYUJB-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.32
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine

1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine (PubChem CID 103576375) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine
PubChem CID103576375
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)C(N)C2)cc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-8-6-15(7-11(8)14)19(16,17)9-3-4-12(18-2)10(13)5-9/h3-5,8,11H,6-7,14H2,1-2H3
InChIKeyLIIUXGGYPDYUJB-UHFFFAOYSA-N
XLogP1.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
2-[1-(3-chloro-4-methoxyphenyl)sulfonylazetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 86265422
1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585444
1-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576250
4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721471
(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 27244442
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 103576458
[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398495
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 51943139
(1S,5R)-7-(3-chloro-4-methoxyphenyl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155919232
6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane
CID 126851681

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine (CID 103576375) is 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine is COc1ccc(S(=O)(=O)N2CC(C)C(N)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
The InChIKey is LIIUXGGYPDYUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-8-6-15(7-11(8)14)19(16,17)9-3-4-12(18-2)10(13)5-9/h3-5,8,11H,6-7,14H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine has a molecular weight of 304.80 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103576375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).